3-nitro-2-(phenethylcarbamoyl)benzoic Acid
TL;DR: 3-nitro-2-(phenethylcarbamoyl)benzoic Acid (CAS 325802-85-5) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2-(2-phenylethylcarbamoyl)benzoic acid
Also Known As: 3-nitro-2-(phenethylcarbamoyl)benzoic Acid, 3-nitro-2-(N-phenethylcarbamoyl)benzoic acid, 3-nitro-2-(2-phenylethylcarbamoyl)benzoic acid, F0777-1950, 3-NITRO-2-[(2-PHENYLETHYL)CARBAMOYL]BENZOIC ACID
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.2655 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 711.14075 |
Chemical Identifiers
| CAS Number | 325802-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O |
Product Overview
3-nitro-2-(phenethylcarbamoyl)benzoic Acid (CAS 325802-85-5), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: 3-nitro-2-(2-phenylethylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid
Property Insights of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid
The XLogP value of 2.2655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-2-(phenethylcarbamoyl)benzoic Acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-2-(phenethylcarbamoyl)benzoic Acid. Following Lipinski's Rule of Five, 3-nitro-2-(phenethylcarbamoyl)benzoic Acid has 2 hydrogen bond donor(s) and 4 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-nitro-2-(phenethylcarbamoyl)benzoic Acid?
The CAS number of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid is 325802-85-5.
What is the molecular formula of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid?
The molecular formula of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid is C16H14N2O5.
What is the molecular weight of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid?
The molecular weight of 3-nitro-2-(phenethylcarbamoyl)benzoic Acid is 314.09 g/mol.
Where can I buy 3-nitro-2-(phenethylcarbamoyl)benzoic Acid?
You can request a quote for 3-nitro-2-(phenethylcarbamoyl)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-nitro-2-(phenethylcarbamoyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-2-(phenethylcarbamoyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.