BAS 11416370
TL;DR: BAS 11416370 (CAS 774591-54-7) 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-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: BAS 11416370, 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-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-methylphenyl)amine
| Molecular Formula | C23H27N7O2 |
|---|---|
| Molecular Weight | 433.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.22263 |
| Heavy Atoms | 32 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 774591-54-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | XJSZPZODEYGCDW-UHFFFAOYSA-N |
Product Overview
BAS 11416370 (CAS 774591-54-7), 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-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 11416370
Property Insights of BAS 11416370
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11416370. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11416370. Following Lipinski's Rule of Five, BAS 11416370 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 11416370?
The CAS number of BAS 11416370 is 774591-54-7.
What is the molecular formula of BAS 11416370?
The molecular formula of BAS 11416370 is C23H27N7O2.
What is the molecular weight of BAS 11416370?
The molecular weight of BAS 11416370 is 433.22 g/mol.
Where can I buy BAS 11416370?
You can request a quote for BAS 11416370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11416370?
Yes, KEHONG BIO provides custom synthesis services for BAS 11416370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.