N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
TL;DR: N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide (CAS 24706-70-5) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Also Known As: CBKinase1_003067, CBKinase1_015467, BAS 01277260, N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide, N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 24706-70-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC=NN2 |
| InChIKey | ZBSYLOJDGBMFAD-UHFFFAOYSA-N |
Product Overview
N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide (CAS 24706-70-5), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
Chemical Property Profile of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
Property Insights of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide has 2 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-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The CAS number of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide is 24706-70-5.
What is the molecular formula of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The molecular formula of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide is C11H12N4OS.
What is the molecular weight of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The molecular weight of N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide is 248.07 g/mol.
Where can I buy N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide?
You can request a quote for N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide 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-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.