3-(3-Carboxypropanamido)-4-methylbenzoic acid
TL;DR: 3-(3-Carboxypropanamido)-4-methylbenzoic acid (CAS 351983-79-4) 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.
3-(3-carboxypropanoylamino)-4-methylbenzoic acid
Also Known As: 3-(3-carboxypropanamido)-4-methylbenzoic acid, 3-[(3-carboxypropanoyl)amino]-4-methylbenzoic acid, BIM-0031776.P001, J2.265.073D, N-(2-Methyl-5-carboxyphenyl)succinamidic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.49652 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 495.24118 |
Chemical Identifiers
| CAS Number | 351983-79-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC(=O)O |
Product Overview
3-(3-Carboxypropanamido)-4-methylbenzoic acid (CAS 351983-79-4), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 3-(3-carboxypropanoylamino)-4-methylbenzoic acid.
Chemical Property Profile of 3-(3-Carboxypropanamido)-4-methylbenzoic acid
Property Insights of 3-(3-Carboxypropanamido)-4-methylbenzoic acid
The XLogP value of 1.49652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Carboxypropanamido)-4-methylbenzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Carboxypropanamido)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(3-Carboxypropanamido)-4-methylbenzoic 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-(3-Carboxypropanamido)-4-methylbenzoic acid?
The CAS number of 3-(3-Carboxypropanamido)-4-methylbenzoic acid is 351983-79-4.
What is the molecular formula of 3-(3-Carboxypropanamido)-4-methylbenzoic acid?
The molecular formula of 3-(3-Carboxypropanamido)-4-methylbenzoic acid is C12H13NO5.
What is the molecular weight of 3-(3-Carboxypropanamido)-4-methylbenzoic acid?
The molecular weight of 3-(3-Carboxypropanamido)-4-methylbenzoic acid is 251.08 g/mol.
Where can I buy 3-(3-Carboxypropanamido)-4-methylbenzoic acid?
You can request a quote for 3-(3-Carboxypropanamido)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Carboxypropanamido)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Carboxypropanamido)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.