Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate
TL;DR: Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate (CAS 307540-03-0) is a chemical compound with molecular formula C17H16BrNO5 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-[(3,4-dimethoxybenzoyl)amino]benzoate
Also Known As: methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate, VU0125688-2, methyl 5-bromo-2-[(3,4-dimethoxybenzoyl)amino]benzoate, F3097-0931, methyl 2-[(3,4-dimethoxyphenyl)carbonylamino]-5-bromobenzoate
| Molecular Formula | C17H16BrNO5 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.5052 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.02118 |
| Heavy Atoms | 24 |
| Complexity | 775.57135 |
Chemical Identifiers
| CAS Number | 307540-03-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)OC)OC |
Product Overview
Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate (CAS 307540-03-0), with molecular formula C17H16BrNO5 and molecular weight 393.02 g/mol. IUPAC: methyl 5-bromo-2-[(3,4-dimethoxybenzoyl)amino]benzoate.
Chemical Property Profile of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate
Property Insights of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate
The XLogP value of 3.5052 indicates that Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate. Following Lipinski's Rule of Five, Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate has 1 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 Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate?
The CAS number of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate is 307540-03-0.
What is the molecular formula of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate?
The molecular formula of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate is C17H16BrNO5.
What is the molecular weight of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate?
The molecular weight of Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate is 393.02 g/mol.
Where can I buy Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate?
You can request a quote for Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-(3,4-dimethoxybenzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.