ChemDiv3_006709
TL;DR: ChemDiv3_006709 (CAS 669743-40-2) is a chemical compound with molecular formula C19H26N6OS2 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate
Also Known As: ChemDiv3_006709, IDI1_024619, BRD-K29208297-001-01-1, {4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl cyclohexyl(methyl)dithiocarbamate, ({4-amino-6-[(4-methoxyphenyl)amino](1,3,5-triazin-2-yl)}methylthio)(cyclohexy lmethylamino)methane-1-thione
| Molecular Formula | C19H26N6OS2 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.9886 |
| Topological Polar Surface Area | 89.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16095 |
| Heavy Atoms | 28 |
| Complexity | 795.5109 |
Chemical Identifiers
| CAS Number | 669743-40-2 |
|---|---|
| SMILES | CN(C1CCCCC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N |
Product Overview
ChemDiv3_006709 (CAS 669743-40-2), with molecular formula C19H26N6OS2 and molecular weight 418.16 g/mol. IUPAC: [4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate.
Chemical Property Profile of ChemDiv3_006709
Property Insights of ChemDiv3_006709
The XLogP value of 3.9886 indicates that ChemDiv3_006709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006709. Following Lipinski's Rule of Five, ChemDiv3_006709 has 2 hydrogen bond donor(s) and 8 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 ChemDiv3_006709?
The CAS number of ChemDiv3_006709 is 669743-40-2.
What is the molecular formula of ChemDiv3_006709?
The molecular formula of ChemDiv3_006709 is C19H26N6OS2.
What is the molecular weight of ChemDiv3_006709?
The molecular weight of ChemDiv3_006709 is 418.16 g/mol.
Where can I buy ChemDiv3_006709?
You can request a quote for ChemDiv3_006709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006709?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.