![6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine structure](/static/products/827/827005-77-6.png)
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
TL;DR: 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CAS 827005-77-6) is a chemical compound with molecular formula C23H27N7O3 and molecular weight 449.22 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-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-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-methoxyphenyl)amine, 6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine, 6-({4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}METHYL)-N2-(3-METHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE, 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C23H27N7O3 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 2.2525 |
| Topological Polar Surface Area | 110.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.21753 |
| Heavy Atoms | 33 |
| Complexity | 1118.9592 |
Chemical Identifiers
| CAS Number | 827005-77-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CAS 827005-77-6), with molecular formula C23H27N7O3 and molecular weight 449.22 g/mol. IUPAC: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Property Insights of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
The XLogP value of 2.2525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine. The TPSA of 110.89 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-methoxyphenyl)-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-methoxyphenyl)-1,3,5-triazine-2,4-diamine has 2 hydrogen bond donor(s) and 10 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-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The CAS number of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is 827005-77-6.
What is the molecular formula of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The molecular formula of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is C23H27N7O3.
What is the molecular weight of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The molecular weight of 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is 449.22 g/mol.
Where can I buy 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.