Benzenepropanoic acid, beta-((methylamino)carbonyl)-
TL;DR: Benzenepropanoic acid, beta-((methylamino)carbonyl)- (CAS 72365-59-4) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-4-oxo-3-phenylbutanoic acid
Also Known As: 4-(methylamino)-4-oxo-3-phenylbutanoic acid, 4-(Methylcarbamoyl)-3-phenylpropanoic acid, m-CRESOL, 6-tert-BUTYL-4-NITRO-, Benzenepropanoic acid, beta-((methylamino)carbonyl)-, Benzenepropanoic acid, beta-[(methylamino)carbonyl]-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 72365-59-4 |
|---|---|
| SMILES | CNC(=O)C(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | MYANGMBHBNYNQU-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, beta-((methylamino)carbonyl)- (CAS 72365-59-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 4-(methylamino)-4-oxo-3-phenylbutanoic acid.
Chemical Property Profile of Benzenepropanoic acid, beta-((methylamino)carbonyl)-
Property Insights of Benzenepropanoic acid, beta-((methylamino)carbonyl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, beta-((methylamino)carbonyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, beta-((methylamino)carbonyl)-. Following Lipinski's Rule of Five, Benzenepropanoic acid, beta-((methylamino)carbonyl)- has 2 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 Benzenepropanoic acid, beta-((methylamino)carbonyl)-?
The CAS number of Benzenepropanoic acid, beta-((methylamino)carbonyl)- is 72365-59-4.
What is the molecular formula of Benzenepropanoic acid, beta-((methylamino)carbonyl)-?
The molecular formula of Benzenepropanoic acid, beta-((methylamino)carbonyl)- is C11H13NO3.
What is the molecular weight of Benzenepropanoic acid, beta-((methylamino)carbonyl)-?
The molecular weight of Benzenepropanoic acid, beta-((methylamino)carbonyl)- is 207.09 g/mol.
Where can I buy Benzenepropanoic acid, beta-((methylamino)carbonyl)-?
You can request a quote for Benzenepropanoic acid, beta-((methylamino)carbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, beta-((methylamino)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, beta-((methylamino)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.