ChemDiv3_011460
TL;DR: ChemDiv3_011460 (CAS 863459-64-7) is a chemical compound with molecular formula C20H17ClN6OS and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: ChemDiv3_011460, IDI1_029018, F0682-0735, BRD-K86570891-001-01-4, N-[(2-chlorophenyl)methyl]-2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
| Molecular Formula | C20H17ClN6OS |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 3.58082 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0873 |
| Heavy Atoms | 29 |
| Complexity | 1161.3252 |
Chemical Identifiers
| CAS Number | 863459-64-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4=CC=CC=C4Cl)N=N2 |
Product Overview
ChemDiv3_011460 (CAS 863459-64-7), with molecular formula C20H17ClN6OS and molecular weight 424.09 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv3_011460
Property Insights of ChemDiv3_011460
The XLogP value of 3.58082 indicates that ChemDiv3_011460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011460. Following Lipinski's Rule of Five, ChemDiv3_011460 has 1 hydrogen bond donor(s) and 6 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_011460?
The CAS number of ChemDiv3_011460 is 863459-64-7.
What is the molecular formula of ChemDiv3_011460?
The molecular formula of ChemDiv3_011460 is C20H17ClN6OS.
What is the molecular weight of ChemDiv3_011460?
The molecular weight of ChemDiv3_011460 is 424.09 g/mol.
Where can I buy ChemDiv3_011460?
You can request a quote for ChemDiv3_011460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011460?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.