ChemDiv3_005657
TL;DR: ChemDiv3_005657 (CAS 689761-50-0) is a chemical compound with molecular formula C19H25ClN6S2 and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate
Also Known As: ChemDiv3_005657, IDI1_023567, BRD-K22267886-001-01-1, {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl cyclohexyl(methyl)dithiocarbamate, ({4-amino-6-[(3-chloro-2-methylphenyl)amino](1,3,5-triazin-2-yl)}methylthio)(c yclohexylmethylamino)methane-1-thione
| Molecular Formula | C19H25ClN6S2 |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 4.94182 |
| Topological Polar Surface Area | 79.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.12708 |
| Heavy Atoms | 28 |
| Complexity | 841.1687 |
Chemical Identifiers
| CAS Number | 689761-50-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC(=S)N(C)C3CCCCC3 |
Product Overview
ChemDiv3_005657 (CAS 689761-50-0), with molecular formula C19H25ClN6S2 and molecular weight 436.13 g/mol. IUPAC: [4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate.
Chemical Property Profile of ChemDiv3_005657
Property Insights of ChemDiv3_005657
The XLogP value of 4.94182 indicates that ChemDiv3_005657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005657. Following Lipinski's Rule of Five, ChemDiv3_005657 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 ChemDiv3_005657?
The CAS number of ChemDiv3_005657 is 689761-50-0.
What is the molecular formula of ChemDiv3_005657?
The molecular formula of ChemDiv3_005657 is C19H25ClN6S2.
What is the molecular weight of ChemDiv3_005657?
The molecular weight of ChemDiv3_005657 is 436.13 g/mol.
Where can I buy ChemDiv3_005657?
You can request a quote for ChemDiv3_005657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005657?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.