2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester
TL;DR: 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester (CAS 90278-98-1) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-anilino-4-oxobut-2-enoate
Also Known As: methyl fumaranilate, Cyto6H10, fumaranilic acid methyl ester, methyl 4-anilino-4-oxobut-2-enoate, N-Phenylfumaramidic acid methyl ester
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.3543 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 370.67923 |
Chemical Identifiers
| CAS Number | 90278-98-1 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)NC1=CC=CC=C1 |
Product Overview
2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester (CAS 90278-98-1), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: methyl (E)-4-anilino-4-oxobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester
Property Insights of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester
The XLogP value of 1.3543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester 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, 4-oxo-4-(phenylamino)-, methyl ester?
The CAS number of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester is 90278-98-1.
What is the molecular formula of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester is C11H11NO3.
What is the molecular weight of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester is 205.07 g/mol.
Where can I buy 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester 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-oxo-4-(phenylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-oxo-4-(phenylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.