6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide
TL;DR: 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide (CAS 836641-19-1) 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.
6-chloro-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]pyridine-3-carboxamide
Also Known As: 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide, 6-chloro-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide, 6-chloro-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]pyridine-3-carboxamide, 6-chloro-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiocarbamoyl]pyridine-3-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 | 836641-19-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CN=C(C=C3)Cl |
Product Overview
6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide (CAS 836641-19-1), with molecular formula C18H14ClN5O3S and molecular weight 415.05 g/mol. IUPAC: 6-chloro-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide
Property Insights of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide
The XLogP value of 2.64772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide. The TPSA of 109.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide. Following Lipinski's Rule of Five, 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide 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 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide?
The CAS number of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide is 836641-19-1.
What is the molecular formula of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide?
The molecular formula of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide is C18H14ClN5O3S.
What is the molecular weight of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide?
The molecular weight of 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide is 415.05 g/mol.
Where can I buy 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide?
You can request a quote for 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.