BAS 11416371
TL;DR: BAS 11416371 (CAS 774591-55-8) is a chemical compound with molecular formula C24H29N7O2 and molecular weight 447.24 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-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: BAS 11416371, 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2,4-dimethylphenyl)-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))(2,4-dimethylphenyl)amine, (4E)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-[(2,4-dimethylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine, 6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C24H29N7O2 |
|---|---|
| Molecular Weight | 447.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.23828 |
| Heavy Atoms | 33 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 774591-55-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C |
| InChIKey | KYJRGMDCAKWGPR-UHFFFAOYSA-N |
Product Overview
BAS 11416371 (CAS 774591-55-8), with molecular formula C24H29N7O2 and molecular weight 447.24 g/mol. IUPAC: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 11416371
Property Insights of BAS 11416371
The XLogP value of 3.2 indicates that BAS 11416371 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 BAS 11416371. Following Lipinski's Rule of Five, BAS 11416371 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 11416371?
The CAS number of BAS 11416371 is 774591-55-8.
What is the molecular formula of BAS 11416371?
The molecular formula of BAS 11416371 is C24H29N7O2.
What is the molecular weight of BAS 11416371?
The molecular weight of BAS 11416371 is 447.24 g/mol.
Where can I buy BAS 11416371?
You can request a quote for BAS 11416371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11416371?
Yes, KEHONG BIO provides custom synthesis services for BAS 11416371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.