2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester
TL;DR: 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester (CAS 90279-01-9) is a chemical compound with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
Also Known As: 2-BUTENOIC ACID, 4-((5-BUTYL-1,2,4-THIADIAZOL-2-YL)AMINO)-4-OXO-, METHYL ESTER, 4-((5-Butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-2-butenoic acid methyl ester, methyl (E)-4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate, RefChem:1062635, BRN 5578221
| Molecular Formula | C11H15N3O3S |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.5484 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.0834 |
| Heavy Atoms | 18 |
| Complexity | 442.49677 |
Chemical Identifiers
| CAS Number | 90279-01-9 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)/C=C/C(=O)OC |
Product Overview
2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester (CAS 90279-01-9), with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol. IUPAC: methyl (E)-4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester
Property Insights of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester
The XLogP value of 1.5484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester has 1 hydrogen bond donor(s) and 6 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-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester?
The CAS number of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester is 90279-01-9.
What is the molecular formula of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester is C11H15N3O3S.
What is the molecular weight of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester is 269.08 g/mol.
Where can I buy 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, 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-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-((5-butyl-1,2,4-thiadiazol-2-yl)amino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.