5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid
TL;DR: 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid (CAS 224181-98-0) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-2-(2-carboxyethyl)benzoic acid
Also Known As: 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid, 5-acetamido-2-(2-carboxyethyl)benzoic acid, 5-acetamido-2-(2-carboxyethyl) benzoic acid, 5-(acetylamino)-2-(2-carboxyethyl)benzoic acid, benzenepropanoic acid, 4-(acetylamino)-2-carboxy-
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 224181-98-0 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)CCC(=O)O)C(=O)O |
| InChIKey | SWOFDPQHZLPOAE-UHFFFAOYSA-N |
Product Overview
5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid (CAS 224181-98-0), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 5-acetamido-2-(2-carboxyethyl)benzoic acid.
Chemical Property Profile of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid
Property Insights of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid. Following Lipinski's Rule of Five, 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid has 3 hydrogen bond donor(s) and 5 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 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid?
The CAS number of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid is 224181-98-0.
What is the molecular formula of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid?
The molecular formula of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid is C12H13NO5.
What is the molecular weight of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid?
The molecular weight of 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid is 251.08 g/mol.
Where can I buy 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid?
You can request a quote for 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylamino-2-(2-carboxy-ethyl)-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.