![3-[(Tert-butylcarbamoyl)amino]benzoic acid structure](/static/products/5016/501679-02-3.webp)
3-[(Tert-butylcarbamoyl)amino]benzoic acid
TL;DR: 3-[(Tert-butylcarbamoyl)amino]benzoic acid (CAS 501679-02-3) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butylcarbamoylamino)benzoic acid
Also Known As: 3-[(tert-butylcarbamoyl)amino]benzoic acid, 3-(tert-butylcarbamoylamino)benzoic acid, 3-(3-(tert-butyl)ureido)benzoic acid, 3-(tert-butylcarbamamido)benzoic acid, 3-[(tert-butylcarbamoyl)amino]benzoicacid
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 501679-02-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CC=CC(=C1)C(=O)O |
| InChIKey | LBDSQGPMOHWZSP-UHFFFAOYSA-N |
Product Overview
3-[(Tert-butylcarbamoyl)amino]benzoic acid (CAS 501679-02-3), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 3-(tert-butylcarbamoylamino)benzoic acid.
Chemical Property Profile of 3-[(Tert-butylcarbamoyl)amino]benzoic acid
Property Insights of 3-[(Tert-butylcarbamoyl)amino]benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Tert-butylcarbamoyl)amino]benzoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Tert-butylcarbamoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(Tert-butylcarbamoyl)amino]benzoic acid 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 3-[(Tert-butylcarbamoyl)amino]benzoic acid?
The CAS number of 3-[(Tert-butylcarbamoyl)amino]benzoic acid is 501679-02-3.
What is the molecular formula of 3-[(Tert-butylcarbamoyl)amino]benzoic acid?
The molecular formula of 3-[(Tert-butylcarbamoyl)amino]benzoic acid is C12H16N2O3.
What is the molecular weight of 3-[(Tert-butylcarbamoyl)amino]benzoic acid?
The molecular weight of 3-[(Tert-butylcarbamoyl)amino]benzoic acid is 236.12 g/mol.
Where can I buy 3-[(Tert-butylcarbamoyl)amino]benzoic acid?
You can request a quote for 3-[(Tert-butylcarbamoyl)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-[(Tert-butylcarbamoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Tert-butylcarbamoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.