BAS 00442669
TL;DR: BAS 00442669 (CAS 5537-69-9) is a chemical compound with molecular formula C21H21ClFN7 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(E)-(2-chlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
Also Known As: BAS 00442669, 2-N-[(E)-(2-chlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine, 2-chlorobenzaldehyde [4-[(4-fluorophenyl)amino]-6-(1-piperidinyl)-1,3,5-triazin-2-yl]hydrazone, 4-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, 4-{(2E)-2-[(2-Chlorophenyl)methylidene]hydrazin-1-yl}-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
| Molecular Formula | C21H21ClFN7 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 4.844 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.1531 |
| Heavy Atoms | 30 |
| Complexity | 1020.1184 |
Chemical Identifiers
| CAS Number | 5537-69-9 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC=CC=C3Cl)NC4=CC=C(C=C4)F |
Product Overview
BAS 00442669 (CAS 5537-69-9), with molecular formula C21H21ClFN7 and molecular weight 425.15 g/mol. IUPAC: 2-N-[(E)-(2-chlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 00442669
Property Insights of BAS 00442669
The XLogP value of 4.844 indicates that BAS 00442669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442669. Following Lipinski's Rule of Five, BAS 00442669 has 2 hydrogen bond donor(s) and 7 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 00442669?
The CAS number of BAS 00442669 is 5537-69-9.
What is the molecular formula of BAS 00442669?
The molecular formula of BAS 00442669 is C21H21ClFN7.
What is the molecular weight of BAS 00442669?
The molecular weight of BAS 00442669 is 425.15 g/mol.
Where can I buy BAS 00442669?
You can request a quote for BAS 00442669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442669?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.