![2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- structure](/static/products/519/519016-44-5.png)
2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-
TL;DR: 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- (CAS 519016-44-5) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-, (2E)-3-[N-(3-carbamoyl-5-methyl-4-phenyl(2-thienyl))carbamoyl]prop-2-enoic aci d, (2E)-4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, (E)-4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, 3-[(3-carbamoyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.40172 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 793.9116 |
Chemical Identifiers
| CAS Number | 519016-44-5 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)N)C2=CC=CC=C2 |
Product Overview
2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- (CAS 519016-44-5), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: (E)-4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-
Property Insights of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-
The XLogP value of 2.40172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-. Following Lipinski's Rule of Five, 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- has 3 hydrogen bond donor(s) and 4 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-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-?
The CAS number of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- is 519016-44-5.
What is the molecular formula of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-?
The molecular formula of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- is C16H14N2O4S.
What is the molecular weight of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-?
The molecular weight of 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- is 330.07 g/mol.
Where can I buy 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-?
You can request a quote for 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]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-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-butenoic acid, 4-[[3-(aminocarbonyl)-5-methyl-4-phenyl-2-thienyl]amino]-4-oxo-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.