![3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea structure](/static/products/801/801251-06-9.png)
3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea
TL;DR: 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea (CAS 801251-06-9) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(methylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea, N-(methylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C12H13N5O2S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 0.815 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.079 |
| Heavy Atoms | 20 |
| Complexity | 598.90497 |
Chemical Identifiers
| CAS Number | 801251-06-9 |
|---|---|
| SMILES | CNC(=O)NC(=O)CSC1=NN=CN1C2=CC=CC=C2 |
Product Overview
3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea (CAS 801251-06-9), with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol. IUPAC: N-(methylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea
Property Insights of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea
The XLogP value of 0.815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea. Following Lipinski's Rule of Five, 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea has 2 hydrogen bond donor(s) and 5 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 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea?
The CAS number of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea is 801251-06-9.
What is the molecular formula of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea?
The molecular formula of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea is C12H13N5O2S.
What is the molecular weight of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea?
The molecular weight of 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea is 291.08 g/mol.
Where can I buy 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea?
You can request a quote for 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.