Chethoxyrol
TL;DR: Chethoxyrol (CAS 6339-76-0) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyacetate
Also Known As: Chethoxyrol, Diphenyltrifluorstibin, KST-1A6913, Cholest-5-en-3beta-yl ethoxyacetate, (3
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 6339-76-0 |
|---|---|
| SMILES | CCOCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | BCHGTUTUDPRCDT-GTPODGLVSA-N |
Product Overview
Chethoxyrol (CAS 6339-76-0), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyacetate.
Chemical Property Profile of Chethoxyrol
Property Insights of Chethoxyrol
The XLogP value of 9.4 indicates that Chethoxyrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Chethoxyrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chethoxyrol has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chethoxyrol?
The CAS number of Chethoxyrol is 6339-76-0.
What is the molecular formula of Chethoxyrol?
The molecular formula of Chethoxyrol is C31H52O3.
What is the molecular weight of Chethoxyrol?
The molecular weight of Chethoxyrol is 472.39 g/mol.
Where can I buy Chethoxyrol?
You can request a quote for Chethoxyrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chethoxyrol?
Yes, KEHONG BIO provides custom synthesis services for Chethoxyrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.