N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
TL;DR: N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine (CAS 838401-98-2) is a chemical compound with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,5-N-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine
Also Known As: N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine, [1-mesyl-5-(p-anisylamino)-1,2,4-triazol-3-yl]-p-anisyl-amine, 3-N,5-N-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine, N3,N5-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine, N3,N5-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine
| Molecular Formula | C19H23N5O4S |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 2.3272 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.14706 |
| Heavy Atoms | 29 |
| Complexity | 1047.2085 |
Chemical Identifiers
| CAS Number | 838401-98-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)S(=O)(=O)C |
Product Overview
N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine (CAS 838401-98-2), with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol. IUPAC: 3-N,5-N-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
Property Insights of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 2.3272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine has 2 hydrogen bond donor(s) and 8 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,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine?
The CAS number of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine is 838401-98-2.
What is the molecular formula of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine is C19H23N5O4S.
What is the molecular weight of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine is 417.15 g/mol.
Where can I buy N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.