AE-848/42278381
TL;DR: AE-848/42278381 (CAS 694466-87-0) is a chemical compound with molecular formula C17H14ClN3O2S and molecular weight 359.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
Also Known As: AE-848/42278381, [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone, 2-{[3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]carbonyl}phenyl methyl ether
| Molecular Formula | C17H14ClN3O2S |
|---|---|
| Molecular Weight | 359.05 g/mol |
| LogP | 4.0175 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.04953 |
| Heavy Atoms | 24 |
| Complexity | 877.7971 |
Chemical Identifiers
| CAS Number | 694466-87-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SC |
Product Overview
AE-848/42278381 (CAS 694466-87-0), with molecular formula C17H14ClN3O2S and molecular weight 359.05 g/mol. IUPAC: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of AE-848/42278381
Property Insights of AE-848/42278381
The XLogP value of 4.0175 indicates that AE-848/42278381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AE-848/42278381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42278381 has 0 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 AE-848/42278381?
The CAS number of AE-848/42278381 is 694466-87-0.
What is the molecular formula of AE-848/42278381?
The molecular formula of AE-848/42278381 is C17H14ClN3O2S.
What is the molecular weight of AE-848/42278381?
The molecular weight of AE-848/42278381 is 359.05 g/mol.
Where can I buy AE-848/42278381?
You can request a quote for AE-848/42278381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42278381?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42278381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.