BAS 12814246
TL;DR: BAS 12814246 (CAS 827005-87-8) is a chemical compound with molecular formula C22H24FN7O2 and molecular weight 437.20 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-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
Also Known As: BAS 12814246, 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(4-fluorophenyl)-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))(4-fluorophenyl)amine, 6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine, 6-({4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}METHYL)-N2-(4-FLUOROPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
| Molecular Formula | C22H24FN7O2 |
|---|---|
| Molecular Weight | 437.20 g/mol |
| LogP | 2.383 |
| Topological Polar Surface Area | 101.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.19754 |
| Heavy Atoms | 32 |
| Complexity | 1088.1375 |
Chemical Identifiers
| CAS Number | 827005-87-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N |
Product Overview
BAS 12814246 (CAS 827005-87-8), with molecular formula C22H24FN7O2 and molecular weight 437.20 g/mol. IUPAC: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 12814246
Property Insights of BAS 12814246
The XLogP value of 2.383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12814246. The TPSA of 101.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12814246. Following Lipinski's Rule of Five, BAS 12814246 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 12814246?
The CAS number of BAS 12814246 is 827005-87-8.
What is the molecular formula of BAS 12814246?
The molecular formula of BAS 12814246 is C22H24FN7O2.
What is the molecular weight of BAS 12814246?
The molecular weight of BAS 12814246 is 437.20 g/mol.
Where can I buy BAS 12814246?
You can request a quote for BAS 12814246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12814246?
Yes, KEHONG BIO provides custom synthesis services for BAS 12814246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.