2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
TL;DR: 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol (CAS 21133-89-1) is a chemical compound with molecular formula C14H21BrO2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-ethylhexane-2,4-diol
Also Known As: 2-(4-bromophenyl)-4-ethylhexane-2,4-diol, 2-(p-Bromophenyl)-4-ethyl-2,4-hexanediol, 2,4-HEXANEDIOL, 2-(p-BROMOPHENYL)-4-ETHYL-, p-Bromophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3, RefChem:1061177
| Molecular Formula | C14H21BrO2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.07248 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 21133-89-1 |
|---|---|
| SMILES | CCC(CC)(CC(C)(C1=CC=C(C=C1)Br)O)O |
| InChIKey | LJESTSRMCGGACG-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-4-ethylhexane-2,4-diol (CAS 21133-89-1), with molecular formula C14H21BrO2 and molecular weight 300.07 g/mol. IUPAC: 2-(4-bromophenyl)-4-ethylhexane-2,4-diol.
Chemical Property Profile of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
Property Insights of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
The XLogP value of 3.3 indicates that 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol?
The CAS number of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol is 21133-89-1.
What is the molecular formula of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol?
The molecular formula of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol is C14H21BrO2.
What is the molecular weight of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol?
The molecular weight of 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol is 300.07 g/mol.
Where can I buy 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol?
You can request a quote for 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.