17-Ethynyl-11-oxatestosterone
TL;DR: 17-Ethynyl-11-oxatestosterone (CAS 128837-83-2) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,10S,11S,15R)-14-ethynyl-14-hydroxy-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
Also Known As: 17-Ethynyl-11-oxatestosterone, 17-Ethinyl-11-oxatestosterone, 17-Ethinyl-11-oxa-testosterone, KST-1A0994, (4as,4bs,6ar,9as,9bs)-7-ethynyl-7-hydroxy-4a,6a-dimethyl-4,4a,4b,6,6a,7,8,9,9a,9b,10,11-dodecahydrobenzo[h]cyclopenta[c]chromen-2(3h)-one
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 128837-83-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2OC[C@]4([C@H]3CCC4(C#C)O)C |
| InChIKey | ZPNQMHXTVUJDII-BIPVHDJMSA-N |
Product Overview
17-Ethynyl-11-oxatestosterone (CAS 128837-83-2), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (1S,2S,10S,11S,15R)-14-ethynyl-14-hydroxy-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one.
Chemical Property Profile of 17-Ethynyl-11-oxatestosterone
Property Insights of 17-Ethynyl-11-oxatestosterone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Ethynyl-11-oxatestosterone. With a topological polar surface area (TPSA) of 46.5 Ų, 17-Ethynyl-11-oxatestosterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Ethynyl-11-oxatestosterone has 1 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 17-Ethynyl-11-oxatestosterone?
The CAS number of 17-Ethynyl-11-oxatestosterone is 128837-83-2.
What is the molecular formula of 17-Ethynyl-11-oxatestosterone?
The molecular formula of 17-Ethynyl-11-oxatestosterone is C20H26O3.
What is the molecular weight of 17-Ethynyl-11-oxatestosterone?
The molecular weight of 17-Ethynyl-11-oxatestosterone is 314.19 g/mol.
Where can I buy 17-Ethynyl-11-oxatestosterone?
You can request a quote for 17-Ethynyl-11-oxatestosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Ethynyl-11-oxatestosterone?
Yes, KEHONG BIO provides custom synthesis services for 17-Ethynyl-11-oxatestosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.