N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
TL;DR: N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine (CAS 879036-03-0) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine
Also Known As: N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine, 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine, 1-(BENZENESULFONYL)-N-[(4-METHOXYPHENYL)METHYL]-3-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.1978 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1224.899 |
Chemical Identifiers
| CAS Number | 879036-03-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine (CAS 879036-03-0), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine.
Chemical Property Profile of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Property Insights of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
The XLogP value of 3.1978 indicates that N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine has 1 hydrogen bond donor(s) and 7 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-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine?
The CAS number of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine is 879036-03-0.
What is the molecular formula of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine?
The molecular formula of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine is C21H19N5O3S.
What is the molecular weight of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine?
The molecular weight of N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine is 421.12 g/mol.
Where can I buy N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine?
You can request a quote for N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxybenzyl)-1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.