2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-
TL;DR: 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- (CAS 89141-15-1) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-phenylbut-2-enoate
Also Known As: methyl 2-acetamido-3-phenylbut-2-enoate, methyl (Z)-2-acetamido-3-methylcinnamate, Methyl 2-acetamido-3-phenyl-but-2-enoate, 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-, methyl 2-(acetylamino)-3-phenyl-2-butenoate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.7267 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 448.9922 |
Chemical Identifiers
| CAS Number | 89141-15-1 |
|---|---|
| SMILES | CC(=C(C(=O)OC)NC(=O)C)C1=CC=CC=C1 |
Product Overview
2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- (CAS 89141-15-1), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 2-acetamido-3-phenylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-
Property Insights of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-
The XLogP value of 1.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- has 1 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, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-?
The CAS number of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- is 89141-15-1.
What is the molecular formula of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-?
The molecular formula of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- is C13H15NO3.
What is the molecular weight of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-?
The molecular weight of 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- is 233.11 g/mol.
Where can I buy 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-?
You can request a quote for 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- 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, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-(acetylamino)-3-phenyl-, methyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.