Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-
TL;DR: Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- (CAS 91154-14-2) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylpropan-2-ylcarbamoylamino)benzoic acid
Also Known As: 4-{[(2-phenylpropan-2-yl)carbamoyl]amino}benzoic acid, 1-(alpha,alpha-Dimethylbenzyl)-3-(p-carboxyphenyl)urea, 4-(2-phenylpropan-2-ylcarbamoylamino)benzoic acid, Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 91154-14-2 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | GHGXHMKGYVYYKR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- (CAS 91154-14-2), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 4-(2-phenylpropan-2-ylcarbamoylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-
Property Insights of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- 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 Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-?
The CAS number of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- is 91154-14-2.
What is the molecular formula of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-?
The molecular formula of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- is C17H18N2O3.
What is the molecular weight of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-?
The molecular weight of Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- is 298.13 g/mol.
Where can I buy Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-?
You can request a quote for Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((((1-methyl-1-phenylethyl)amino)carbonyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.