![2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide structure](/static/products/3384/338408-80-3.webp)
2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide
TL;DR: 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide (CAS 338408-80-3) is a chemical compound with molecular formula C25H28N6O3S and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea
Also Known As: 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide, 1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea, 4-[4-(diphenylmethyl)piperazine-1-carbonyl]-5-methyl-N-[(methylcarbamothioyl)amino]-1,2-oxazole-3-carboxamide, 1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbonyl]amino]-3-methyl-thiourea
| Molecular Formula | C25H28N6O3S |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 2.26912 |
| Topological Polar Surface Area | 102.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.19437 |
| Heavy Atoms | 35 |
| Complexity | 1136.9275 |
Chemical Identifiers
| CAS Number | 338408-80-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)NNC(=S)NC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide (CAS 338408-80-3), with molecular formula C25H28N6O3S and molecular weight 492.19 g/mol. IUPAC: 1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea.
Chemical Property Profile of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide
Property Insights of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide
The XLogP value of 2.26912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide. The TPSA of 102.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide 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 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide?
The CAS number of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide is 338408-80-3.
What is the molecular formula of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide?
The molecular formula of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide is C25H28N6O3S.
What is the molecular weight of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide?
The molecular weight of 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide is 492.19 g/mol.
Where can I buy 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide?
You can request a quote for 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.