Coprostanone
TL;DR: Coprostanone (CAS 601-53-6) is a chemical compound with molecular formula C27H46O and molecular weight 386.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 5beta-Cholestan-3-one, Coprostanone, Coprostan-3-one, 5beta-cholestanone, 5B-Cholestan-3-one
| Molecular Formula | C27H46O |
|---|---|
| Molecular Weight | 386.35 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.35486 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 601-53-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | PESKGJQREUXSRR-JDIFZLMISA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coprostanone (CAS 601-53-6), with molecular formula C27H46O and molecular weight 386.35 g/mol. IUPAC: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Coprostanone
Property Insights of Coprostanone
The XLogP value of 8.9 indicates that Coprostanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Coprostanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coprostanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coprostanone?
The CAS number of Coprostanone is 601-53-6.
What is the molecular formula of Coprostanone?
The molecular formula of Coprostanone is C27H46O.
What is the molecular weight of Coprostanone?
The molecular weight of Coprostanone is 386.35 g/mol.
Where can I buy Coprostanone?
You can request a quote for Coprostanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coprostanone?
Yes, KEHONG BIO provides custom synthesis services for Coprostanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.