Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate
TL;DR: Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate (CAS 401577-80-8) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(phenylcarbamoylamino)benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(3-phenylureido)isophthalate, 1,3-dimethyl 5-[(phenylcarbamoyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-(phenylcarbamoylamino)benzene-1,3-dicarboxylate, METHYL 3-(METHOXYCARBONYL)-5-((PHENYLAMINO)CARBONYLAMINO)BENZOATE, DIMETHYL 5-[(ANILINOCARBONYL)AMINO]ISOPHTHALATE
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.9038 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 724.5812 |
Chemical Identifiers
| CAS Number | 401577-80-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate (CAS 401577-80-8), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: dimethyl 5-(phenylcarbamoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate
Property Insights of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate
The XLogP value of 2.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate 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 Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate?
The CAS number of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate is 401577-80-8.
What is the molecular formula of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate?
The molecular formula of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate is C17H16N2O5.
What is the molecular weight of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate?
The molecular weight of Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate is 328.11 g/mol.
Where can I buy Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate?
You can request a quote for Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methoxycarbonyl)-5-((phenylamino)carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.