17-epi-Tipredane
TL;DR: 17-epi-Tipredane (CAS 85197-76-8) is a chemical compound with molecular formula C22H31FO2S2 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: 17-epi-Tipredane, 17(S)-Tipredane, TIPREDANE, SQ 27,242, (11-beta,17-beta)-17-(Ethylthio)-9-fluoro-11-hydroxy-17-(methylthio)androsta-1,4-dien-3-one
| Molecular Formula | C22H31FO2S2 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 5.1696 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.17496 |
| Heavy Atoms | 27 |
| Complexity | 721.1013 |
Chemical Identifiers
| CAS Number | 85197-76-8 |
|---|---|
| SMILES | CCS[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)SC |
Product Overview
17-epi-Tipredane (CAS 85197-76-8), with molecular formula C22H31FO2S2 and molecular weight 410.17 g/mol. IUPAC: (8S,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-epi-Tipredane
Property Insights of 17-epi-Tipredane
The XLogP value of 5.1696 indicates that 17-epi-Tipredane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 17-epi-Tipredane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-epi-Tipredane has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-epi-Tipredane?
The CAS number of 17-epi-Tipredane is 85197-76-8.
What is the molecular formula of 17-epi-Tipredane?
The molecular formula of 17-epi-Tipredane is C22H31FO2S2.
What is the molecular weight of 17-epi-Tipredane?
The molecular weight of 17-epi-Tipredane is 410.17 g/mol.
Where can I buy 17-epi-Tipredane?
You can request a quote for 17-epi-Tipredane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-epi-Tipredane?
Yes, KEHONG BIO provides custom synthesis services for 17-epi-Tipredane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.