7-脱氢醋酸胆固醇
TL;DR: 7-脱氢醋酸胆固醇 (CAS 1059-86-5) is a chemical compound with molecular formula C29H46O2 and molecular weight 426.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-脱氢醋酸胆固醇
[(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] acetate
Also Known As: 7-Dehydrocholesterol acetate, 7-Dehydrocholesteryl acetate, 3beta-Acetoxychoesta-5,7-diene, Vitamin D3 Impurity 21, Cholesta-5,7-dien-3beta-yl acetate
| Molecular Formula | C29H46O2 |
|---|---|
| Molecular Weight | 426.35 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.3498 |
| Heavy Atoms | 31 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 1059-86-5 |
|---|---|
| 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)C)C)C |
| InChIKey | ACGNVBRAISEVDK-RPIQFHTISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-脱氢醋酸胆固醇 (CAS 1059-86-5), with molecular formula C29H46O2 and molecular weight 426.35 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] acetate.
Chemical Property Profile of 7-脱氢醋酸胆固醇
Property Insights of 7-脱氢醋酸胆固醇
The XLogP value of 8.5 indicates that 7-脱氢醋酸胆固醇 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-脱氢醋酸胆固醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-脱氢醋酸胆固醇 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-脱氢醋酸胆固醇?
The CAS number of 7-脱氢醋酸胆固醇 is 1059-86-5.
What is the molecular formula of 7-脱氢醋酸胆固醇?
The molecular formula of 7-脱氢醋酸胆固醇 is C29H46O2.
What is the molecular weight of 7-脱氢醋酸胆固醇?
The molecular weight of 7-脱氢醋酸胆固醇 is 426.35 g/mol.
Where can I buy 7-脱氢醋酸胆固醇?
You can request a quote for 7-脱氢醋酸胆固醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-脱氢醋酸胆固醇?
Yes, KEHONG BIO provides custom synthesis services for 7-脱氢醋酸胆固醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.