![6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine structure](/static/products/7745/774591-57-0.webp)
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
TL;DR: 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (CAS 774591-57-0) is a chemical compound with molecular formula C23H26ClN7O2 and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine, (4-amino-6-{[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]methyl}(1,3 ,5-triazin-2-yl))(3-chloro-4-methylphenyl)amine, (4Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-[(3-chloro-4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine, 6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine, 6-({4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}METHYL)-N2-(3-CHLORO-4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
| Molecular Formula | C23H26ClN7O2 |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.18365 |
| Heavy Atoms | 33 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 774591-57-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl |
| InChIKey | GCAQITKQIFCUJH-UHFFFAOYSA-N |
Product Overview
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (CAS 774591-57-0), with molecular formula C23H26ClN7O2 and molecular weight 467.18 g/mol. IUPAC: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
Property Insights of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
The XLogP value of 3.5 indicates that 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine. Following Lipinski's Rule of Five, 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine has 2 hydrogen bond donor(s) and 9 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 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The CAS number of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is 774591-57-0.
What is the molecular formula of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The molecular formula of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is C23H26ClN7O2.
What is the molecular weight of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The molecular weight of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is 467.18 g/mol.
Where can I buy 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
You can request a quote for 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-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 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.