硫代胆甾醇
TL;DR: 硫代胆甾醇 (CAS 1249-81-6) is a chemical compound with molecular formula C27H46S and molecular weight 402.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代胆甾醇
(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]phenanthrene-3-thiol
Also Known As: Thiocholesterol, Cholesteryl mercaptan, Cholest-5-ene-3b-thiol, Cholest-5-ene-3beta-thiol, Cholest-5-ene-3-thiol, (3beta)-
| Molecular Formula | C27H46S |
|---|---|
| Molecular Weight | 402.33 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.33203 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 1249-81-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)S)C)C |
| InChIKey | QGVQZRDQPDLHHV-DPAQBDIFSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代胆甾醇 (CAS 1249-81-6), with molecular formula C27H46S and molecular weight 402.33 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]phenanthrene-3-thiol.
Chemical Property Profile of 硫代胆甾醇
Property Insights of 硫代胆甾醇
The XLogP value of 9.5 indicates that 硫代胆甾醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 硫代胆甾醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代胆甾醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫代胆甾醇?
The CAS number of 硫代胆甾醇 is 1249-81-6.
What is the molecular formula of 硫代胆甾醇?
The molecular formula of 硫代胆甾醇 is C27H46S.
What is the molecular weight of 硫代胆甾醇?
The molecular weight of 硫代胆甾醇 is 402.33 g/mol.
Where can I buy 硫代胆甾醇?
You can request a quote for 硫代胆甾醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代胆甾醇?
Yes, KEHONG BIO provides custom synthesis services for 硫代胆甾醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.