7-Dehydrocholesteryl benzoate
TL;DR: 7-Dehydrocholesteryl benzoate (CAS 6948-59-0) is a chemical compound with molecular formula C34H48O2 and molecular weight 488.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,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] benzoate
Also Known As: 7-Dehydrocholesteryl benzoate, KST-1A7620, (3, A)-cholesta-5,7-dien-3-yl benzoate, [(3R,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] benzoate
| Molecular Formula | C34H48O2 |
|---|---|
| Molecular Weight | 488.37 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.36542 |
| Heavy Atoms | 36 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 6948-59-0 |
|---|---|
| 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)OC(=O)C5=CC=CC=C5)C)C |
| InChIKey | IHOQNBAZWVTKFK-LBLHASFESA-N |
Product Overview
7-Dehydrocholesteryl benzoate (CAS 6948-59-0), with molecular formula C34H48O2 and molecular weight 488.37 g/mol. IUPAC: [(3R,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] benzoate.
Chemical Property Profile of 7-Dehydrocholesteryl benzoate
Property Insights of 7-Dehydrocholesteryl benzoate
The XLogP value of 10.2 indicates that 7-Dehydrocholesteryl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Dehydrocholesteryl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Dehydrocholesteryl benzoate has 0 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 7-Dehydrocholesteryl benzoate?
The CAS number of 7-Dehydrocholesteryl benzoate is 6948-59-0.
What is the molecular formula of 7-Dehydrocholesteryl benzoate?
The molecular formula of 7-Dehydrocholesteryl benzoate is C34H48O2.
What is the molecular weight of 7-Dehydrocholesteryl benzoate?
The molecular weight of 7-Dehydrocholesteryl benzoate is 488.37 g/mol.
Where can I buy 7-Dehydrocholesteryl benzoate?
You can request a quote for 7-Dehydrocholesteryl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Dehydrocholesteryl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Dehydrocholesteryl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.