2-(Diethylcarbamoyl)benzoic acid
TL;DR: 2-(Diethylcarbamoyl)benzoic acid (CAS 4166-52-3) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylcarbamoyl)benzoic acid
Also Known As: 2-(diethylcarbamoyl)benzoic acid, N,N-diethylphthalamic acid, N,N-Diaethyl-phthalamidsaeure, 2-((Diethylamino)carbonyl)benzoic acid, J1.170.530H
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 4166-52-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | JTRKMJYNFCVDEH-UHFFFAOYSA-N |
Product Overview
2-(Diethylcarbamoyl)benzoic acid (CAS 4166-52-3), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 2-(diethylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(Diethylcarbamoyl)benzoic acid
Property Insights of 2-(Diethylcarbamoyl)benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylcarbamoyl)benzoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(Diethylcarbamoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylcarbamoyl)benzoic acid has 1 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 2-(Diethylcarbamoyl)benzoic acid?
The CAS number of 2-(Diethylcarbamoyl)benzoic acid is 4166-52-3.
What is the molecular formula of 2-(Diethylcarbamoyl)benzoic acid?
The molecular formula of 2-(Diethylcarbamoyl)benzoic acid is C12H15NO3.
What is the molecular weight of 2-(Diethylcarbamoyl)benzoic acid?
The molecular weight of 2-(Diethylcarbamoyl)benzoic acid is 221.11 g/mol.
Where can I buy 2-(Diethylcarbamoyl)benzoic acid?
You can request a quote for 2-(Diethylcarbamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylcarbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylcarbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.