3beta-(Methylsulfanyl)cholest-5-ene
TL;DR: 3beta-(Methylsulfanyl)cholest-5-ene (CAS 911-39-7) is a chemical compound with molecular formula C28H48S and molecular weight 416.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: 3-(methylsulfanyl)cholest-5-ene, 3beta-(Methylsulfanyl)cholest-5-ene, (3beta)-3-(Methylthio)cholest-5-ene, (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylh, (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C28H48S |
|---|---|
| Molecular Weight | 416.35 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.3477 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 911-39-7 |
|---|---|
| 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)SC)C)C |
| InChIKey | CSDNFDRMMGNTCT-PXBBAZSNSA-N |
Product Overview
3beta-(Methylsulfanyl)cholest-5-ene (CAS 911-39-7), with molecular formula C28H48S and molecular weight 416.35 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 3beta-(Methylsulfanyl)cholest-5-ene
Property Insights of 3beta-(Methylsulfanyl)cholest-5-ene
The XLogP value of 9.9 indicates that 3beta-(Methylsulfanyl)cholest-5-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3beta-(Methylsulfanyl)cholest-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-(Methylsulfanyl)cholest-5-ene has 0 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 3beta-(Methylsulfanyl)cholest-5-ene?
The CAS number of 3beta-(Methylsulfanyl)cholest-5-ene is 911-39-7.
What is the molecular formula of 3beta-(Methylsulfanyl)cholest-5-ene?
The molecular formula of 3beta-(Methylsulfanyl)cholest-5-ene is C28H48S.
What is the molecular weight of 3beta-(Methylsulfanyl)cholest-5-ene?
The molecular weight of 3beta-(Methylsulfanyl)cholest-5-ene is 416.35 g/mol.
Where can I buy 3beta-(Methylsulfanyl)cholest-5-ene?
You can request a quote for 3beta-(Methylsulfanyl)cholest-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-(Methylsulfanyl)cholest-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 3beta-(Methylsulfanyl)cholest-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.