N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide (CAS 727386-78-9) is a chemical compound with molecular formula C8H12Cl2N4O and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 10852412, N-tert-butyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide, N-(tert-butyl)-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide, N-tert-Butyl-2-(3,5-dichloro-[1,2,4]triazol-1-yl)-acetamide, N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide
| Molecular Formula | C8H12Cl2N4O |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.4996 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.03882 |
| Heavy Atoms | 15 |
| Complexity | 369.20883 |
Chemical Identifiers
| CAS Number | 727386-78-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CN1C(=NC(=N1)Cl)Cl |
Product Overview
N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide (CAS 727386-78-9), with molecular formula C8H12Cl2N4O and molecular weight 250.04 g/mol. IUPAC: N-tert-butyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 1.4996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide has 1 hydrogen bond donor(s) and 3 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-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide is 727386-78-9.
What is the molecular formula of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide is C8H12Cl2N4O.
What is the molecular weight of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide is 250.04 g/mol.
Where can I buy N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.