5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate
TL;DR: 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate (CAS 1258-07-7) is a chemical compound with molecular formula C29H47BrO3 and molecular weight 522.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate
Also Known As: (3beta,5alpha,6beta)-, 5a-Bromo-6,19-epoxycholestanol 3-Acetate, Cid 102074, 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate, 5-Bromo-6,19-epoxycholestan-3-yl acetate
| Molecular Formula | C29H47BrO3 |
|---|---|
| Molecular Weight | 522.27 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.2709 |
| Heavy Atoms | 33 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 1258-07-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)CO4)Br)C |
| InChIKey | YEACHZHDRMYMDK-FMSSLCCRSA-N |
Product Overview
5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate (CAS 1258-07-7), with molecular formula C29H47BrO3 and molecular weight 522.27 g/mol. IUPAC: [(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate.
Chemical Property Profile of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate
Property Insights of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate
The XLogP value of 8.8 indicates that 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate has 0 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 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate?
The CAS number of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate is 1258-07-7.
What is the molecular formula of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate?
The molecular formula of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate is C29H47BrO3.
What is the molecular weight of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate?
The molecular weight of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate is 522.27 g/mol.
Where can I buy 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate?
You can request a quote for 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.