Phenol,2-bromo-6-ethenyl
TL;DR: Phenol,2-bromo-6-ethenyl (CAS 57781-16-5) is a chemical compound with molecular formula C25H28BrCl2FO6 and molecular weight 592.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10S,11S,13S,14S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Phenol,2-bromo-6-ethenyl, KST-1A6332, (6, A,9xi,11, A,17xi)-2-bromo-9,11-dichloro-6-fluoro-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate
| Molecular Formula | C25H28BrCl2FO6 |
|---|---|
| Molecular Weight | 592.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.043 |
| Heavy Atoms | 35 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 57781-16-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)Cl)Cl)C)OC(=O)C |
| InChIKey | COPPKORMSHCPRR-MZXCRVNXSA-N |
Product Overview
Phenol,2-bromo-6-ethenyl (CAS 57781-16-5), with molecular formula C25H28BrCl2FO6 and molecular weight 592.04 g/mol. IUPAC: [2-[(6R,8S,10S,11S,13S,14S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Phenol,2-bromo-6-ethenyl
Property Insights of Phenol,2-bromo-6-ethenyl
The XLogP value of 4.5 indicates that Phenol,2-bromo-6-ethenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol,2-bromo-6-ethenyl. Following Lipinski's Rule of Five, Phenol,2-bromo-6-ethenyl has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol,2-bromo-6-ethenyl?
The CAS number of Phenol,2-bromo-6-ethenyl is 57781-16-5.
What is the molecular formula of Phenol,2-bromo-6-ethenyl?
The molecular formula of Phenol,2-bromo-6-ethenyl is C25H28BrCl2FO6.
What is the molecular weight of Phenol,2-bromo-6-ethenyl?
The molecular weight of Phenol,2-bromo-6-ethenyl is 592.04 g/mol.
Where can I buy Phenol,2-bromo-6-ethenyl?
You can request a quote for Phenol,2-bromo-6-ethenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol,2-bromo-6-ethenyl?
Yes, KEHONG BIO provides custom synthesis services for Phenol,2-bromo-6-ethenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.