![2-[2-(Diethylcarbamoyl)phenyl]benzoic acid structure](/static/products/6955/6955-22-2.webp)
2-[2-(Diethylcarbamoyl)phenyl]benzoic acid
TL;DR: 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid (CAS 6955-22-2) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylcarbamoyl)phenyl]benzoic acid
Also Known As: Diphensaeure-diaethylamid, 2-[2-(diethylcarbamoyl)phenyl]benzoic acid, BIM-0016704.P001, 2'-(Diethylcarbamoyl)[1,1'-biphenyl]-2-carboxylic acid, [1,1'-Biphenyl]-2-carboxylicacid, 2'-[(diethylamino)carbonyl]-
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 6955-22-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O |
| InChIKey | GLEINWWQSCYMIV-UHFFFAOYSA-N |
Product Overview
2-[2-(Diethylcarbamoyl)phenyl]benzoic acid (CAS 6955-22-2), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 2-[2-(diethylcarbamoyl)phenyl]benzoic acid.
Chemical Property Profile of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid
Property Insights of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Diethylcarbamoyl)phenyl]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-[2-(Diethylcarbamoyl)phenyl]benzoic acid?
The CAS number of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid is 6955-22-2.
What is the molecular formula of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid?
The molecular formula of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid is C18H19NO3.
What is the molecular weight of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid?
The molecular weight of 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid is 297.14 g/mol.
Where can I buy 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid?
You can request a quote for 2-[2-(Diethylcarbamoyl)phenyl]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-[2-(Diethylcarbamoyl)phenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.