4-Bromo-2-chlorophenyl ethyl hydrogen phosphate
TL;DR: 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate (CAS 80705-86-8) is a chemical compound with molecular formula C8H9BrClO4P and molecular weight 313.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) ethyl hydrogen phosphate
Also Known As: 4-bromo-2-chlorophenyl ethyl hydrogen phosphate, J2.421.742F, (4-bromo-2-chloro-phenoxy)-ethoxy-phosphinic Acid, (4-bromo-2-chlorophenoxy)(ethoxy)phosphinic acid, (4-bromo-2-chlorophenyl) ethyl hydrogen phosphate
| Molecular Formula | C8H9BrClO4P |
|---|---|
| Molecular Weight | 313.91 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.91104 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 80705-86-8 |
|---|---|
| SMILES | CCOP(=O)(O)OC1=C(C=C(C=C1)Br)Cl |
| InChIKey | YNSWEISYROHJMC-UHFFFAOYSA-N |
Product Overview
4-Bromo-2-chlorophenyl ethyl hydrogen phosphate (CAS 80705-86-8), with molecular formula C8H9BrClO4P and molecular weight 313.91 g/mol. IUPAC: (4-bromo-2-chlorophenyl) ethyl hydrogen phosphate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate
Property Insights of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate has 1 hydrogen bond donor(s) and 4 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 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate?
The CAS number of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate is 80705-86-8.
What is the molecular formula of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate?
The molecular formula of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate is C8H9BrClO4P.
What is the molecular weight of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate?
The molecular weight of 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate is 313.91 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate?
You can request a quote for 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl ethyl hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.