![4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester structure](/static/products/311/311784-33-5.png)
4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester
TL;DR: 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester (CAS 311784-33-5) is a chemical compound with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate
Also Known As: butyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate, BIM-0037749.P001, 4-[[(3,4-dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester, butyl 4-(3-(3,4-dimethoxyphenyl)ureido)benzoate, butyl 4-({[(3,4-dimethoxyphenyl)amino]carbonyl}amino)benzoate
| Molecular Formula | C20H24N2O5 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 4.3047 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.16852 |
| Heavy Atoms | 27 |
| Complexity | 774.4416 |
Chemical Identifiers
| CAS Number | 311784-33-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC |
Product Overview
4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester (CAS 311784-33-5), with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol. IUPAC: butyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]benzoate.
Chemical Property Profile of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester
Property Insights of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester
The XLogP value of 4.3047 indicates that 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester. Following Lipinski's Rule of Five, 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester has 2 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 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester?
The CAS number of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester is 311784-33-5.
What is the molecular formula of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester?
The molecular formula of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester is C20H24N2O5.
What is the molecular weight of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester?
The molecular weight of 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester is 372.17 g/mol.
Where can I buy 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester?
You can request a quote for 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(3,4-Dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.