ChemDiv3_008585
TL;DR: ChemDiv3_008585 (CAS 496776-18-2) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008585, IDI1_026495, AB00612632-06, AF-399/41668455, BRD-K25590020-001-01-0
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.6903 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 875.9604 |
Chemical Identifiers
| CAS Number | 496776-18-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
ChemDiv3_008585 (CAS 496776-18-2), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: methyl 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_008585
Property Insights of ChemDiv3_008585
The XLogP value of 2.6903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008585. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008585. Following Lipinski's Rule of Five, ChemDiv3_008585 has 0 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_008585?
The CAS number of ChemDiv3_008585 is 496776-18-2.
What is the molecular formula of ChemDiv3_008585?
The molecular formula of ChemDiv3_008585 is C17H18N4O3S.
What is the molecular weight of ChemDiv3_008585?
The molecular weight of ChemDiv3_008585 is 358.11 g/mol.
Where can I buy ChemDiv3_008585?
You can request a quote for ChemDiv3_008585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008585?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.