22-Thio-23,24-bisnor-5-cholen-3-ol
TL;DR: 22-Thio-23,24-bisnor-5-cholen-3-ol (CAS 116523-89-8) is a chemical compound with molecular formula C22H36OS and molecular weight 348.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-sulfanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 22-Tbco, KST-1A1170, 22-Thio-23,24-bisnor-5-cholen-3-ol, (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-sulfanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-17-[(2s)-1-sulfanylpropan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol(non-preferred name)
| Molecular Formula | C22H36OS |
|---|---|
| Molecular Weight | 348.25 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.2487 |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 116523-89-8 |
|---|---|
| SMILES | C[C@H](CS)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | IWHLHPLQPDAYMQ-NBOCEFNVSA-N |
Product Overview
22-Thio-23,24-bisnor-5-cholen-3-ol (CAS 116523-89-8), with molecular formula C22H36OS and molecular weight 348.25 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-sulfanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 22-Thio-23,24-bisnor-5-cholen-3-ol
Property Insights of 22-Thio-23,24-bisnor-5-cholen-3-ol
The XLogP value of 6.1 indicates that 22-Thio-23,24-bisnor-5-cholen-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 22-Thio-23,24-bisnor-5-cholen-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Thio-23,24-bisnor-5-cholen-3-ol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 22-Thio-23,24-bisnor-5-cholen-3-ol?
The CAS number of 22-Thio-23,24-bisnor-5-cholen-3-ol is 116523-89-8.
What is the molecular formula of 22-Thio-23,24-bisnor-5-cholen-3-ol?
The molecular formula of 22-Thio-23,24-bisnor-5-cholen-3-ol is C22H36OS.
What is the molecular weight of 22-Thio-23,24-bisnor-5-cholen-3-ol?
The molecular weight of 22-Thio-23,24-bisnor-5-cholen-3-ol is 348.25 g/mol.
Where can I buy 22-Thio-23,24-bisnor-5-cholen-3-ol?
You can request a quote for 22-Thio-23,24-bisnor-5-cholen-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Thio-23,24-bisnor-5-cholen-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 22-Thio-23,24-bisnor-5-cholen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.