Cholesteryl-o-coumarate
TL;DR: Cholesteryl-o-coumarate (CAS 99910-85-7) is a chemical compound with molecular formula C36H52O3 and molecular weight 532.39 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]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(2-hydroxyphenyl)prop-2-enoate
Also Known As: Cholesteryl-o-coumarate, Cholesteryl-2-coumarate, [(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]phenanthren-3-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate, [(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]phenanthren-3-yl] 3-(2-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C36H52O3 |
|---|---|
| Molecular Weight | 532.39 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.39166 |
| Heavy Atoms | 39 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 99910-85-7 |
|---|---|
| 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)OC(=O)C=CC5=CC=CC=C5O)C)C |
| InChIKey | JPTUJXPTFCNGAF-CEPFJRGJSA-N |
Product Overview
Cholesteryl-o-coumarate (CAS 99910-85-7), with molecular formula C36H52O3 and molecular weight 532.39 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]phenanthren-3-yl] 3-(2-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Cholesteryl-o-coumarate
Property Insights of Cholesteryl-o-coumarate
The XLogP value of 10.8 indicates that Cholesteryl-o-coumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Cholesteryl-o-coumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl-o-coumarate 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 Cholesteryl-o-coumarate?
The CAS number of Cholesteryl-o-coumarate is 99910-85-7.
What is the molecular formula of Cholesteryl-o-coumarate?
The molecular formula of Cholesteryl-o-coumarate is C36H52O3.
What is the molecular weight of Cholesteryl-o-coumarate?
The molecular weight of Cholesteryl-o-coumarate is 532.39 g/mol.
Where can I buy Cholesteryl-o-coumarate?
You can request a quote for Cholesteryl-o-coumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl-o-coumarate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl-o-coumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.