![N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine structure](/static/products/4967/496773-69-4.webp)
N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
TL;DR: N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine (CAS 496773-69-4) is a chemical compound with molecular formula C20H19ClN6OS2 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-chloro-2-methylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine, (6E)-6-[(3-chloro-2-methylphenyl)imino]-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,6-dihydro-1,3,5-triazin-2-amine, {4-amino-6-[(6-ethoxybenzothiazol-2-ylthio)methyl](1,3,5-triazin-2-yl)}(3-chlo ro-2-methylphenyl)amine, 2-N-(3-chloro-2-methylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine, N2-(3-chloro-2-methylphenyl)-6-(((6-ethoxybenzo[d]thiazol-2-yl)thio)methyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C20H19ClN6OS2 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 5.45992 |
| Topological Polar Surface Area | 98.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.07504 |
| Heavy Atoms | 30 |
| Complexity | 1199.3544 |
Chemical Identifiers
| CAS Number | 496773-69-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC(=NC(=N3)NC4=C(C(=CC=C4)Cl)C)N |
Product Overview
N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine (CAS 496773-69-4), with molecular formula C20H19ClN6OS2 and molecular weight 458.08 g/mol. IUPAC: 2-N-(3-chloro-2-methylphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Property Insights of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
The XLogP value of 5.45992 indicates that N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine?
The CAS number of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine is 496773-69-4.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine?
The molecular formula of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine is C20H19ClN6OS2.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine?
The molecular weight of N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine is 458.08 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine?
You can request a quote for N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.