AE-848/42278377
TL;DR: AE-848/42278377 (CAS 694467-71-5) 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]-(4-methoxyphenyl)methanone
Also Known As: AE-848/42278377, [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone, 4-{[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 | 860.5471 |
Chemical Identifiers
| CAS Number | 694467-71-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SC |
Product Overview
AE-848/42278377 (CAS 694467-71-5), with molecular formula C17H14ClN3O2S and molecular weight 359.05 g/mol. IUPAC: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of AE-848/42278377
Property Insights of AE-848/42278377
The XLogP value of 4.0175 indicates that AE-848/42278377 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-848/42278377 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42278377 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-848/42278377?
The CAS number of AE-848/42278377 is 694467-71-5.
What is the molecular formula of AE-848/42278377?
The molecular formula of AE-848/42278377 is C17H14ClN3O2S.
What is the molecular weight of AE-848/42278377?
The molecular weight of AE-848/42278377 is 359.05 g/mol.
Where can I buy AE-848/42278377?
You can request a quote for AE-848/42278377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42278377?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42278377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.