AN-698/42262156
TL;DR: AN-698/42262156 (CAS 695169-86-9) is a chemical compound with molecular formula C18H21N5OS3 and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: AN-698/42262156, 2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-({5-[(benzylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H21N5OS3 |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 4.22712 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.09082 |
| Heavy Atoms | 27 |
| Complexity | 878.2668 |
Chemical Identifiers
| CAS Number | 695169-86-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)CSCC3=CC=CC=C3 |
Product Overview
AN-698/42262156 (CAS 695169-86-9), with molecular formula C18H21N5OS3 and molecular weight 419.09 g/mol. IUPAC: 2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AN-698/42262156
Property Insights of AN-698/42262156
The XLogP value of 4.22712 indicates that AN-698/42262156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42262156. Following Lipinski's Rule of Five, AN-698/42262156 has 1 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 AN-698/42262156?
The CAS number of AN-698/42262156 is 695169-86-9.
What is the molecular formula of AN-698/42262156?
The molecular formula of AN-698/42262156 is C18H21N5OS3.
What is the molecular weight of AN-698/42262156?
The molecular weight of AN-698/42262156 is 419.09 g/mol.
Where can I buy AN-698/42262156?
You can request a quote for AN-698/42262156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42262156?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42262156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.