N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine
TL;DR: N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine (CAS 774191-29-6) is a chemical compound with molecular formula C14H13ClN4OS and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine
Also Known As: BAS 07021393, N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine, N-[5-chloro-2-(thiophen-2-ylmethoxy)benzyl]-1H-1,2,4-triazol-3-amine, N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine, N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-1,2,4-triazol-3-amine
| Molecular Formula | C14H13ClN4OS |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 3.7107 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.04987 |
| Heavy Atoms | 21 |
| Complexity | 685.08417 |
Chemical Identifiers
| CAS Number | 774191-29-6 |
|---|---|
| SMILES | C1=CSC(=C1)COC2=C(C=C(C=C2)Cl)CNC3=NC=NN3 |
Product Overview
N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine (CAS 774191-29-6), with molecular formula C14H13ClN4OS and molecular weight 320.05 g/mol. IUPAC: N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine
Property Insights of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 3.7107 indicates that N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine 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 N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine?
The CAS number of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine is 774191-29-6.
What is the molecular formula of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine is C14H13ClN4OS.
What is the molecular weight of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine is 320.05 g/mol.
Where can I buy N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-(thiophen-2-ylmethoxy)benzyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.