BAS 12814242
TL;DR: BAS 12814242 (CAS 827005-67-4) is a chemical compound with molecular formula C23H27N7O2 and molecular weight 433.22 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-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: BAS 12814242, 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2-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))(2-methylphenyl)amine, 6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine, 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C23H27N7O2 |
|---|---|
| Molecular Weight | 433.22 g/mol |
| LogP | 2.55232 |
| Topological Polar Surface Area | 101.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.22263 |
| Heavy Atoms | 32 |
| Complexity | 1099.453 |
Chemical Identifiers
| CAS Number | 827005-67-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 12814242 (CAS 827005-67-4), with molecular formula C23H27N7O2 and molecular weight 433.22 g/mol. IUPAC: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 12814242
Property Insights of BAS 12814242
The XLogP value of 2.55232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12814242. The TPSA of 101.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12814242. Following Lipinski's Rule of Five, BAS 12814242 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 BAS 12814242?
The CAS number of BAS 12814242 is 827005-67-4.
What is the molecular formula of BAS 12814242?
The molecular formula of BAS 12814242 is C23H27N7O2.
What is the molecular weight of BAS 12814242?
The molecular weight of BAS 12814242 is 433.22 g/mol.
Where can I buy BAS 12814242?
You can request a quote for BAS 12814242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12814242?
Yes, KEHONG BIO provides custom synthesis services for BAS 12814242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.