Cephalexin Monohydrate

Compound Structure

CAS Number: 23325-78-2

Molecular Mass: 365.4 g/mol

Formula: C16H19N3O5S

Smiles: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetonitrile 278.1 - 0.0676 [191]
Acetonitrile 280.1 - 0.1078 [191]
Acetonitrile 283.1 - 0.1674 [191]
Methanol 278.1 - 2.162 [191]
Methanol 280.1 - 2.576 [191]
Methanol 283.1 - 3.229 [191]
Methanol 293.1 - 5.466 [191]
Methanol 303.1 - 8.486 [191]
Water 283.1 - 10.84 [191]
Water 293.1 - 14.61 [191]
Water 303.1 - 16.67 [191]
Water 313.1 - 19.29 [191]
Water 323.1 - 25.08 [191]

Molecule 3D descriptors

Descriptor Value
PMI1 1134.3509
PMI2 4603.3487
PMI3 5079.4618
NPR1 0.2233
NPR2 0.9063
RadiusOfGyration 3.8473
InertialShapeFactor 0.0008
Eccentricity 0.9747
Asphericity 0.4756
SpherocityIndex 0.1964
PBF 0.8394