5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide
TL;DR: 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide (CAS 338408-95-0) is a chemical compound with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-N-(1,3-thiazol-2-yl)-1,2-oxazole-3,4-dicarboxamide
Also Known As: 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide, 3G-914, 5-methyl-N~4~-(1,3-thiazol-2-yl)-3,4-isoxazoledicarboxamide, 3,4-Isoxazoledicarboxamide,5-methyl-N4-2-thiazolyl-(9CI), 5-methyl-4-N-(1,3-thiazol-2-yl)-1,2-oxazole-3,4-dicarboxamide
| Molecular Formula | C9H8N4O3S |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 0.79072 |
| Topological Polar Surface Area | 111.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03171 |
| Heavy Atoms | 17 |
| Complexity | 560.81287 |
Chemical Identifiers
| CAS Number | 338408-95-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)N)C(=O)NC2=NC=CS2 |
Product Overview
5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide (CAS 338408-95-0), with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol. IUPAC: 5-methyl-4-N-(1,3-thiazol-2-yl)-1,2-oxazole-3,4-dicarboxamide.
Chemical Property Profile of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide
Property Insights of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide
The XLogP value of 0.79072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide. The TPSA of 111.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide. Following Lipinski's Rule of Five, 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide has 2 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 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide?
The CAS number of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide is 338408-95-0.
What is the molecular formula of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide?
The molecular formula of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide is C9H8N4O3S.
What is the molecular weight of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide?
The molecular weight of 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide is 252.03 g/mol.
Where can I buy 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide?
You can request a quote for 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.