1-Bromohexestrol
TL;DR: 1-Bromohexestrol (CAS 74536-64-4) is a chemical compound with molecular formula C18H20Br2O2 and molecular weight 425.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-[(3S,4R)-4-(3-bromo-4-hydroxyphenyl)hexan-3-yl]phenol
Also Known As: 1-Bromohexestrol, meso-3,4-bis(3-bromo-4-hydroxyphenyl)hexane, Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-bromo-, (R*,S*)-, 2-bromo-4-[(3S,4R)-4-(3-bromo-4-hydroxyphenyl)hexan-3-yl]phenol, RefChem:75168
| Molecular Formula | C18H20Br2O2 |
|---|---|
| Molecular Weight | 425.98 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.983 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 74536-64-4 |
|---|---|
| SMILES | CC[C@H](C1=CC(=C(C=C1)O)Br)[C@@H](CC)C2=CC(=C(C=C2)O)Br |
| InChIKey | NXTVRZYDIKGZQK-OKILXGFUSA-N |
Product Overview
1-Bromohexestrol (CAS 74536-64-4), with molecular formula C18H20Br2O2 and molecular weight 425.98 g/mol. IUPAC: 2-bromo-4-[(3S,4R)-4-(3-bromo-4-hydroxyphenyl)hexan-3-yl]phenol.
Chemical Property Profile of 1-Bromohexestrol
Property Insights of 1-Bromohexestrol
The XLogP value of 6.6 indicates that 1-Bromohexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Bromohexestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromohexestrol has 2 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 1-Bromohexestrol?
The CAS number of 1-Bromohexestrol is 74536-64-4.
What is the molecular formula of 1-Bromohexestrol?
The molecular formula of 1-Bromohexestrol is C18H20Br2O2.
What is the molecular weight of 1-Bromohexestrol?
The molecular weight of 1-Bromohexestrol is 425.98 g/mol.
Where can I buy 1-Bromohexestrol?
You can request a quote for 1-Bromohexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromohexestrol?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromohexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.