7-脱氢胆固醇苯甲酸酯
TL;DR: 7-脱氢胆固醇苯甲酸酯 (CAS 1182-06-5) 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.
7-脱氢胆固醇苯甲酸酯
[(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] benzoate
Also Known As: 7-Dehydrocholesterol benzoate, 7-Dehydrocholesteryl benzoate, 5, benzoate, Cholesta-5, benzoate, delta5,7-Cholesteryl 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 | 1182-06-5 |
|---|---|
| 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-BVBBTSNESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-脱氢胆固醇苯甲酸酯 (CAS 1182-06-5), with molecular formula C34H48O2 and molecular weight 488.37 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] benzoate.
Chemical Property Profile of 7-脱氢胆固醇苯甲酸酯
Property Insights of 7-脱氢胆固醇苯甲酸酯
The XLogP value of 10.2 indicates that 7-脱氢胆固醇苯甲酸酯 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-脱氢胆固醇苯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-脱氢胆固醇苯甲酸酯 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-脱氢胆固醇苯甲酸酯?
The CAS number of 7-脱氢胆固醇苯甲酸酯 is 1182-06-5.
What is the molecular formula of 7-脱氢胆固醇苯甲酸酯?
The molecular formula of 7-脱氢胆固醇苯甲酸酯 is C34H48O2.
What is the molecular weight of 7-脱氢胆固醇苯甲酸酯?
The molecular weight of 7-脱氢胆固醇苯甲酸酯 is 488.37 g/mol.
Where can I buy 7-脱氢胆固醇苯甲酸酯?
You can request a quote for 7-脱氢胆固醇苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-脱氢胆固醇苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 7-脱氢胆固醇苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.