4-(3,3-Dimethylureido)benzoic acid
TL;DR: 4-(3,3-Dimethylureido)benzoic acid (CAS 91880-51-2) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylcarbamoylamino)benzoic acid
Also Known As: 4-[(Dimethylcarbamoyl)amino]benzoic acid, 4-(3,3-Dimethylureido)benzoic acid, 4-(dimethylcarbamoylamino)benzoic acid, 4- BENZOICACID, 4-(3,3-DIMETHYL-UREIDO)BENZOIC ACID
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 91880-51-2 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | IIWJGCYPFFTHDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,3-Dimethylureido)benzoic acid (CAS 91880-51-2), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: 4-(dimethylcarbamoylamino)benzoic acid.
Chemical Property Profile of 4-(3,3-Dimethylureido)benzoic acid
Property Insights of 4-(3,3-Dimethylureido)benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,3-Dimethylureido)benzoic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,3-Dimethylureido)benzoic acid. Following Lipinski's Rule of Five, 4-(3,3-Dimethylureido)benzoic acid has 2 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 4-(3,3-Dimethylureido)benzoic acid?
The CAS number of 4-(3,3-Dimethylureido)benzoic acid is 91880-51-2.
What is the molecular formula of 4-(3,3-Dimethylureido)benzoic acid?
The molecular formula of 4-(3,3-Dimethylureido)benzoic acid is C10H12N2O3.
What is the molecular weight of 4-(3,3-Dimethylureido)benzoic acid?
The molecular weight of 4-(3,3-Dimethylureido)benzoic acid is 208.08 g/mol.
Where can I buy 4-(3,3-Dimethylureido)benzoic acid?
You can request a quote for 4-(3,3-Dimethylureido)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-(3,3-Dimethylureido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,3-Dimethylureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.