AN-698/42261929
TL;DR: AN-698/42261929 (CAS 700858-39-5) is a chemical compound with molecular formula C16H15Cl2N5OS3 and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AN-698/42261929, 2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-[(5-{[(3,4-dichlorobenzyl)thio]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide, 2-[(5-{[(3,4-dichlorobenzyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide
| Molecular Formula | C16H15Cl2N5OS3 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 4.7426 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.98157 |
| Heavy Atoms | 27 |
| Complexity | 916.92896 |
Chemical Identifiers
| CAS Number | 700858-39-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
AN-698/42261929 (CAS 700858-39-5), with molecular formula C16H15Cl2N5OS3 and molecular weight 458.98 g/mol. IUPAC: 2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AN-698/42261929
Property Insights of AN-698/42261929
The XLogP value of 4.7426 indicates that AN-698/42261929 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-698/42261929. Following Lipinski's Rule of Five, AN-698/42261929 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-698/42261929?
The CAS number of AN-698/42261929 is 700858-39-5.
What is the molecular formula of AN-698/42261929?
The molecular formula of AN-698/42261929 is C16H15Cl2N5OS3.
What is the molecular weight of AN-698/42261929?
The molecular weight of AN-698/42261929 is 458.98 g/mol.
Where can I buy AN-698/42261929?
You can request a quote for AN-698/42261929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42261929?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42261929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.