17
TL;DR: 17 (CAS 89376-77-2) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: 17, A-Ethynyl-10, A-hydroperoxy-1,4-estradiene-17, A-ol-3-one, 10-Hydroperoxy-17-hydroxy-19-norpregna-1,4-dien-20-yn-3-one
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 89376-77-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)C=CC34OO |
| InChIKey | LCUKBSASDIWIPC-ZLHCHQMRSA-N |
Product Overview
17 (CAS 89376-77-2), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: (8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17
Property Insights of 17
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 17. Following Lipinski's Rule of Five, 17 has 2 hydrogen bond donor(s) and 4 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?
The CAS number of 17 is 89376-77-2.
What is the molecular formula of 17?
The molecular formula of 17 is C20H24O4.
What is the molecular weight of 17?
The molecular weight of 17 is 328.17 g/mol.
Where can I buy 17?
You can request a quote for 17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17?
Yes, KEHONG BIO provides custom synthesis services for 17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.