2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-
TL;DR: 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- (CAS 78168-78-2) 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.
ethyl (E)-3-benzamidobut-2-enoate
Also Known As: Ethyl 3-benzamidobut-2-enoate, ethyl (E)-3-benzamidobut-2-enoate, Ethyl (2E)-3-benzamidobut-2-enoate, 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.8833 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 423.55054 |
Chemical Identifiers
| CAS Number | 78168-78-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC(=O)C1=CC=CC=C1 |
Product Overview
2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- (CAS 78168-78-2), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: ethyl (E)-3-benzamidobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-
Property Insights of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-
The XLogP value of 1.8833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- 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, 3-(benzoylamino)-, ethyl ester, (E)-?
The CAS number of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- is 78168-78-2.
What is the molecular formula of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-?
The molecular formula of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- is C13H15NO3.
What is the molecular weight of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-?
The molecular weight of 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- is 233.11 g/mol.
Where can I buy 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)-?
You can request a quote for 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- 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, 3-(benzoylamino)-, ethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-(benzoylamino)-, ethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.