![4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid structure](/static/products/691/69194-87-2.png)
4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
TL;DR: 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid (CAS 69194-87-2) is a chemical compound with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)carbamoylamino]benzoic acid
Also Known As: 4-{[(4-nitrophenyl)carbamoyl]amino}benzoic acid, BAS 01156593, 4-[3-(4-Nitro-phenyl)-ureido]-benzoic acid, 4-[3-(4-Nitrophenyl)ureido]benzoic acid, 4-[(4-nitrophenyl)carbamoylamino]benzoic acid
| Molecular Formula | C14H11N3O5 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.937 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0699 |
| Heavy Atoms | 22 |
| Complexity | 648.7631 |
Chemical Identifiers
| CAS Number | 69194-87-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid (CAS 69194-87-2), with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol. IUPAC: 4-[(4-nitrophenyl)carbamoylamino]benzoic acid.
Chemical Property Profile of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
Property Insights of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
The XLogP value of 2.937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid 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 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The CAS number of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is 69194-87-2.
What is the molecular formula of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The molecular formula of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is C14H11N3O5.
What is the molecular weight of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The molecular weight of 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is 301.07 g/mol.
Where can I buy 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
You can request a quote for 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.