1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea
TL;DR: 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea (CAS 197236-80-9) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-3-nitrophenyl)carbamoylamino]benzamide
Also Known As: 2-[(4-methyl-3-nitrophenyl)carbamoylamino]benzamide, 1-(2-CARBAMOYLPHENYL)-3-(4-METHYL-3-NITROPHENYL)UREA, 2-{[(4-methyl-3-nitrophenyl)carbamoyl]amino}benzamide
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 197236-80-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-] |
| InChIKey | POULAVWQAGEYSC-UHFFFAOYSA-N |
Product Overview
1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea (CAS 197236-80-9), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: 2-[(4-methyl-3-nitrophenyl)carbamoylamino]benzamide.
Chemical Property Profile of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea
Property Insights of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea has 3 hydrogen bond donor(s) and 4 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 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea?
The CAS number of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea is 197236-80-9.
What is the molecular formula of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea?
The molecular formula of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea is C15H14N4O4.
What is the molecular weight of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea?
The molecular weight of 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea is 314.10 g/mol.
Where can I buy 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea?
You can request a quote for 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carbamoylphenyl)-3-(4-methyl-3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.