Equilin benzoate
TL;DR: Equilin benzoate (CAS 6030-80-4) is a chemical compound with molecular formula C25H24O3 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Equilin benzoate, Equilin 3-Benzoate, Equilin, benzoate, Equilinbenzoat, EQUILINBENZOATE
| Molecular Formula | C25H24O3 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.17255 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 6030-80-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)[C@@H]1CCC2=O |
| InChIKey | UIXFQXUDHNMOTI-KJWPAHLWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Equilin benzoate (CAS 6030-80-4), with molecular formula C25H24O3 and molecular weight 372.17 g/mol. IUPAC: [(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Equilin benzoate
Property Insights of Equilin benzoate
The XLogP value of 4.7 indicates that Equilin benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Equilin benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Equilin benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Equilin benzoate?
The CAS number of Equilin benzoate is 6030-80-4.
What is the molecular formula of Equilin benzoate?
The molecular formula of Equilin benzoate is C25H24O3.
What is the molecular weight of Equilin benzoate?
The molecular weight of Equilin benzoate is 372.17 g/mol.
Where can I buy Equilin benzoate?
You can request a quote for Equilin benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Equilin benzoate?
Yes, KEHONG BIO provides custom synthesis services for Equilin benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.