2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate
TL;DR: 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate (CAS 817565-11-0) is a chemical compound with molecular formula C16H13BrO5 and molecular weight 363.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxycarbonylphenyl) 3-bromo-4-methoxybenzoate
Also Known As: 2-(methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate, (2-methoxycarbonylphenyl) 3-bromo-4-methoxybenzoate, AN-329/42812036
| Molecular Formula | C16H13BrO5 |
|---|---|
| Molecular Weight | 363.99 g/mol |
| LogP | 3.4635 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.99463 |
| Heavy Atoms | 22 |
| Complexity | 711.4324 |
Chemical Identifiers
| CAS Number | 817565-11-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)OC)Br |
Product Overview
2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate (CAS 817565-11-0), with molecular formula C16H13BrO5 and molecular weight 363.99 g/mol. IUPAC: (2-methoxycarbonylphenyl) 3-bromo-4-methoxybenzoate.
Chemical Property Profile of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate
Property Insights of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate
The XLogP value of 3.4635 indicates that 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate. Following Lipinski's Rule of Five, 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 5 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-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate?
The CAS number of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate is 817565-11-0.
What is the molecular formula of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate?
The molecular formula of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate is C16H13BrO5.
What is the molecular weight of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate?
The molecular weight of 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate is 363.99 g/mol.
Where can I buy 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate?
You can request a quote for 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methoxycarbonyl)phenyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.