7-Dehydrocholesterol-3-sulfate ester
TL;DR: 7-Dehydrocholesterol-3-sulfate ester (CAS 10529-44-9) is a chemical compound with molecular formula C27H44O4S and molecular weight 464.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 7-Dehydrocholesterol-3-sulfate ester, cholesta-5,7-dien-3beta-ol 3-sulfate, Cholesta-5,7-dien-3-yl hydrogen sulfate, Cholesta-5,7-dien-3beta-yl hydrogen sulfate, Cholesta-5,7-dien-3-ol, hydrogen sulfate, (3beta)-
| Molecular Formula | C27H44O4S |
|---|---|
| Molecular Weight | 464.30 g/mol |
| LogP | 7.1359 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.29602 |
| Heavy Atoms | 32 |
| Complexity | 872.0872 |
Chemical Identifiers
| CAS Number | 10529-44-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C |
Product Overview
7-Dehydrocholesterol-3-sulfate ester (CAS 10529-44-9), with molecular formula C27H44O4S and molecular weight 464.30 g/mol. IUPAC: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of 7-Dehydrocholesterol-3-sulfate ester
Property Insights of 7-Dehydrocholesterol-3-sulfate ester
The XLogP value of 7.1359 indicates that 7-Dehydrocholesterol-3-sulfate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Dehydrocholesterol-3-sulfate ester. Following Lipinski's Rule of Five, 7-Dehydrocholesterol-3-sulfate ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Dehydrocholesterol-3-sulfate ester?
The CAS number of 7-Dehydrocholesterol-3-sulfate ester is 10529-44-9.
What is the molecular formula of 7-Dehydrocholesterol-3-sulfate ester?
The molecular formula of 7-Dehydrocholesterol-3-sulfate ester is C27H44O4S.
What is the molecular weight of 7-Dehydrocholesterol-3-sulfate ester?
The molecular weight of 7-Dehydrocholesterol-3-sulfate ester is 464.30 g/mol.
Where can I buy 7-Dehydrocholesterol-3-sulfate ester?
You can request a quote for 7-Dehydrocholesterol-3-sulfate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Dehydrocholesterol-3-sulfate ester?
Yes, KEHONG BIO provides custom synthesis services for 7-Dehydrocholesterol-3-sulfate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.