4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate
TL;DR: 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate (CAS 587841-34-7) is a chemical compound with molecular formula C14H9BrClIO3 and molecular weight 465.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 3-iodo-4-methoxybenzoate
Also Known As: 4-bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate, (4-bromo-2-chlorophenyl) 3-iodo-4-methoxybenzoate, AN-329/41609792, (4-bromo-2-chloro-phenyl) 3-iodo-4-methoxy-benzoate, F3145-4423
| Molecular Formula | C14H9BrClIO3 |
|---|---|
| Molecular Weight | 465.85 g/mol |
| LogP | 4.9349 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.84683 |
| Heavy Atoms | 20 |
| Complexity | 660.8624 |
Chemical Identifiers
| CAS Number | 587841-34-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)I |
Product Overview
4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate (CAS 587841-34-7), with molecular formula C14H9BrClIO3 and molecular weight 465.85 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate
Property Insights of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate
The XLogP value of 4.9349 indicates that 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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 3-iodo-4-methoxybenzoate?
The CAS number of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate is 587841-34-7.
What is the molecular formula of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate?
The molecular formula of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate is C14H9BrClIO3.
What is the molecular weight of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate?
The molecular weight of 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate is 465.85 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate?
You can request a quote for 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate 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 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.