Rifapentine

Compound Structure

CAS Number: 61379-65-5

Molecular Mass: 877.0 g/mol

Formula: C47H64N4O12

Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetic acid 278.15 - 859.3 [420]
Acetic acid 283.15 - 915.4 [420]
Acetic acid 288.15 - 974.8 [420]
Acetic acid 293.15 - 1034.0 [420]
Acetic acid 297.15 - 1100.0 [420]
Acetic acid 303.15 - 1154.0 [420]
Acetic acid 308.15 - 1232.0 [420]
Acetic acid 313.15 - 1313.0 [420]
Acetic acid 318.15 - 1400.0 [420]
Acetic acid 323.15 - 1491.0 [420]
Acetone 278.15 - 6.38 [419]
Acetone 283.15 - 6.42 [419]
Acetone 288.15 - 6.449 [419]
Acetone 293.15 - 6.553 [419]
Acetone 297.15 - 6.685 [419]
Acetone 303.15 - 6.779 [419]
Acetone 308.15 - 7.117 [419]
Acetone 313.15 - 7.364 [419]
Acetone 318.15 - 7.685 [419]
Acetone 323.15 - 8.008 [419]
Chloroform 278.15 - 290.4 [419]
Chloroform 283.15 - 301.4 [419]
Chloroform 288.15 - 318.1 [419]
Chloroform 293.15 - 323.1 [419]
Chloroform 297.15 - 328.3 [419]
Chloroform 303.15 - 332.7 [419]
Chloroform 308.15 - 340.7 [419]
Chloroform 313.15 - 347.6 [419]
Chloroform 318.15 - 356.5 [419]
Chloroform 323.15 - 363.2 [419]
Dichloromethane 278.15 - 225.8 [419]
Dichloromethane 283.15 - 232.9 [419]
Dichloromethane 288.15 - 245.5 [419]
Dichloromethane 293.15 - 256.7 [419]
Dichloromethane 297.15 - 272.1 [419]
Dichloromethane 303.15 - 288.1 [419]
Dichloromethane 308.15 - 306.9 [419]
Ethanol 278.15 - 7.873 [419]
Ethanol 283.15 - 7.976 [419]
Ethanol 288.15 - 8.174 [419]
Ethanol 293.15 - 8.452 [419]
Ethanol 297.15 - 8.729 [419]
Ethanol 303.15 - 8.984 [419]
Ethanol 308.15 - 9.243 [419]
Ethanol 313.15 - 9.576 [419]
Ethanol 318.15 - 9.9 [419]
Ethanol 323.15 - 10.22 [419]
Methanol 278.15 - 496.0 [419]
Methanol 283.15 - 501.9 [419]
Methanol 288.15 - 510.4 [419]
Methanol 293.15 - 521.0 [419]
Methanol 297.15 - 534.4 [419]
Methanol 303.15 - 546.3 [419]
Methanol 308.15 - 560.9 [419]
Methanol 313.15 - 579.8 [419]
Methanol 318.15 - 600.6 [419]
Methanol 323.15 - 623.0 [419]

Molecule 3D descriptors

Descriptor Value
PMI1 10639.3938
PMI2 24191.7210
PMI3 27531.2345
NPR1 0.3864
NPR2 0.8787
RadiusOfGyration 5.9626
InertialShapeFactor 0.0001
Eccentricity 0.9223
Asphericity 0.2469
SpherocityIndex 0.3664
PBF 1.8263