AN-698/42262038
TL;DR: AN-698/42262038 (CAS 701219-09-2) is a chemical compound with molecular formula C20H21ClN4OS2 and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: AN-698/42262038, 2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide, 2-[(5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C20H21ClN4OS2 |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 4.94112 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.08453 |
| Heavy Atoms | 28 |
| Complexity | 926.38367 |
Chemical Identifiers
| CAS Number | 701219-09-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CSCC3=CC=C(C=C3)Cl |
Product Overview
AN-698/42262038 (CAS 701219-09-2), with molecular formula C20H21ClN4OS2 and molecular weight 432.08 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AN-698/42262038
Property Insights of AN-698/42262038
The XLogP value of 4.94112 indicates that AN-698/42262038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-698/42262038 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/42262038 has 1 hydrogen bond donor(s) and 5 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-698/42262038?
The CAS number of AN-698/42262038 is 701219-09-2.
What is the molecular formula of AN-698/42262038?
The molecular formula of AN-698/42262038 is C20H21ClN4OS2.
What is the molecular weight of AN-698/42262038?
The molecular weight of AN-698/42262038 is 432.08 g/mol.
Where can I buy AN-698/42262038?
You can request a quote for AN-698/42262038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42262038?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42262038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.