![N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide structure](/static/products/4382/438231-59-5.webp)
N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide
TL;DR: N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide (CAS 438231-59-5) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiourea
Also Known As: 1-benzyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiourea, N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide, (5-methylisoxazol-3-yl)-N-({[benzylamino]thioxomethyl}amino)carboxamide, N-benzyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]hydrazinecarbothioamide
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 1.29212 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 597.42847 |
Chemical Identifiers
| CAS Number | 438231-59-5 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NNC(=S)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide (CAS 438231-59-5), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: 1-benzyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiourea.
Chemical Property Profile of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide
Property Insights of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide
The XLogP value of 1.29212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide 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 N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide?
The CAS number of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide is 438231-59-5.
What is the molecular formula of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide?
The molecular formula of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide is C13H14N4O2S.
What is the molecular weight of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide?
The molecular weight of N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide is 290.08 g/mol.
Where can I buy N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide?
You can request a quote for N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.