N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide
TL;DR: N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide (CAS 836638-64-3) is a chemical compound with molecular formula C18H14ClN5O3S and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(6-chloropyridine-3-carbonyl)amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide, N-({2-[(6-chloropyridin-3-yl)carbonyl]hydrazinyl}carbonothioyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-[[(6-chloropyridine-3-carbonyl)amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-[[(6-chloropyridine-3-carbonyl)amino]thiocarbamoyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C18H14ClN5O3S |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 2.64772 |
| Topological Polar Surface Area | 109.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.0506 |
| Heavy Atoms | 28 |
| Complexity | 1021.46014 |
Chemical Identifiers
| CAS Number | 836638-64-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CN=C(C=C3)Cl |
Product Overview
N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide (CAS 836638-64-3), with molecular formula C18H14ClN5O3S and molecular weight 415.05 g/mol. IUPAC: N-[[(6-chloropyridine-3-carbonyl)amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide
Property Insights of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide
The XLogP value of 2.64772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide. The TPSA of 109.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide. Following Lipinski's Rule of Five, N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide has 3 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 N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide?
The CAS number of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide is 836638-64-3.
What is the molecular formula of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide?
The molecular formula of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide is C18H14ClN5O3S.
What is the molecular weight of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide?
The molecular weight of N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide is 415.05 g/mol.
Where can I buy N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide?
You can request a quote for N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(6-chloronicotinoyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.