![1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide structure](/static/products/6322/632291-88-4.webp)
1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide
TL;DR: 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 632291-88-4) is a chemical compound with molecular formula C13H14ClN5O2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-[(2-chloroacetyl)amino]-N-methyltriazole-4-carboxamide
Also Known As: ZERO/008109, 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide, 1-benzyl-5-[(2-chloroacetyl)amino]-N-methyltriazole-4-carboxamide, 1-benzyl-5-(2-chloroacetamido)-N-methyl-1,2,3-triazole-4-carboxamide, 2-chloro-N-[4-(N-methylcarbamoyl)-1-benzyl(1,2,3-triazol-5-yl)]acetamide
| Molecular Formula | C13H14ClN5O2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0836 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 632291-88-4 |
|---|---|
| SMILES | CNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)NC(=O)CCl |
| InChIKey | YDFXIOCWUSHOJO-UHFFFAOYSA-N |
Product Overview
1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 632291-88-4), with molecular formula C13H14ClN5O2 and molecular weight 307.08 g/mol. IUPAC: 1-benzyl-5-[(2-chloroacetyl)amino]-N-methyltriazole-4-carboxamide.
Chemical Property Profile of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide
Property Insights of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide 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 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide is 632291-88-4.
What is the molecular formula of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide is C13H14ClN5O2.
What is the molecular weight of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide is 307.08 g/mol.
Where can I buy 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.