![2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- structure](/static/products/321/321532-95-0.png)
2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-
TL;DR: 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- (CAS 321532-95-0) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid
Also Known As: ChemDiv1_027013, (E)-4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid, 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-, (2E)-4-(2-methoxy-5-methylanilino)-4-oxo-2-butenoic acid, (2E)-3-[N-(2-methoxy-5-methylphenyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.58292 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 465.5735 |
Chemical Identifiers
| CAS Number | 321532-95-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)/C=C/C(=O)O |
Product Overview
2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- (CAS 321532-95-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (E)-4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-
Property Insights of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-
The XLogP value of 1.58292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-. Following Lipinski's Rule of Five, 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- 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 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-?
The CAS number of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- is 321532-95-0.
What is the molecular formula of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-?
The molecular formula of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- is C12H13NO4.
What is the molecular weight of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-?
The molecular weight of 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- is 235.08 g/mol.
Where can I buy 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-?
You can request a quote for 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-butenoic acid, 4-[(2-methoxy-5-methylphenyl)amino]-4-oxo-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.