![3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid structure](/static/products/691/69194-88-3.png)
3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
TL;DR: 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid (CAS 69194-88-3) 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.
3-[(4-nitrophenyl)carbamoylamino]benzoic acid
Also Known As: BAS 01156612, 3-{[(4-nitrophenyl)carbamoyl]amino}benzoic acid, 3-[(4-nitrophenyl)carbamoylamino]benzoic acid, 3-[3-(4-Nitro-phenyl)-ureido]-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 | 727.5131 |
Chemical Identifiers
| CAS Number | 69194-88-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid (CAS 69194-88-3), with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol. IUPAC: 3-[(4-nitrophenyl)carbamoylamino]benzoic acid.
Chemical Property Profile of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
Property Insights of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid
The XLogP value of 2.937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(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 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The CAS number of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is 69194-88-3.
What is the molecular formula of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The molecular formula of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is C14H11N3O5.
What is the molecular weight of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
The molecular weight of 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid is 301.07 g/mol.
Where can I buy 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
You can request a quote for 3-{[(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 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Nitrophenyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.