间-(1-苯基脲基)苯甲酸
TL;DR: 间-(1-苯基脲基)苯甲酸 (CAS 20632-57-9) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间-(1-苯基脲基)苯甲酸
3-(phenylcarbamoylamino)benzoic acid
Also Known As: 3-(phenylcarbamoylamino)benzoic acid, m-(1-Phenylureido)benzoic acid, 3-(3-phenylureido)benzoic acid, 3-[(phenylcarbamoyl)amino]benzoic acid, BENZOIC ACID, m-(1-PHENYLUREIDO)-
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 20632-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | NPUMZPHLELCFCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间-(1-苯基脲基)苯甲酸 (CAS 20632-57-9), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 3-(phenylcarbamoylamino)benzoic acid.
Chemical Property Profile of 间-(1-苯基脲基)苯甲酸
Property Insights of 间-(1-苯基脲基)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间-(1-苯基脲基)苯甲酸. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 间-(1-苯基脲基)苯甲酸. Following Lipinski's Rule of Five, 间-(1-苯基脲基)苯甲酸 has 3 hydrogen bond donor(s) and 3 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 间-(1-苯基脲基)苯甲酸?
The CAS number of 间-(1-苯基脲基)苯甲酸 is 20632-57-9.
What is the molecular formula of 间-(1-苯基脲基)苯甲酸?
The molecular formula of 间-(1-苯基脲基)苯甲酸 is C14H12N2O3.
What is the molecular weight of 间-(1-苯基脲基)苯甲酸?
The molecular weight of 间-(1-苯基脲基)苯甲酸 is 256.08 g/mol.
Where can I buy 间-(1-苯基脲基)苯甲酸?
You can request a quote for 间-(1-苯基脲基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间-(1-苯基脲基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 间-(1-苯基脲基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.