![2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide structure](/static/products/861/861206-84-0.png)
2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide
TL;DR: 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide (CAS 861206-84-0) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
Also Known As: 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide, 2-(1,2-benzoxazol-3-yl)-N-{[(4-methylphenyl)carbamothioyl]amino}acetamide, 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea, 1X-0205, 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(p-tolyl)thiourea
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.69652 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 873.68774 |
Chemical Identifiers
| CAS Number | 861206-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32 |
Product Overview
2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide (CAS 861206-84-0), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide
Property Insights of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide
The XLogP value of 2.69652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-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 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide?
The CAS number of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide is 861206-84-0.
What is the molecular formula of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide?
The molecular formula of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide is C17H16N4O2S.
What is the molecular weight of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide?
The molecular weight of 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide is 340.10 g/mol.
Where can I buy 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide?
You can request a quote for 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-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-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-(4-methylphenyl)-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.