AF-399/41767617
TL;DR: AF-399/41767617 (CAS 496776-60-4) is a chemical compound with molecular formula C14H12ClN3O2S2 and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AF-399/41767617, methyl {[5-(3-chloro-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[5-(3-chlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazol-3-ylthio]ac etate
| Molecular Formula | C14H12ClN3O2S2 |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 3.6153 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.00595 |
| Heavy Atoms | 22 |
| Complexity | 843.84576 |
Chemical Identifiers
| CAS Number | 496776-60-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
AF-399/41767617 (CAS 496776-60-4), with molecular formula C14H12ClN3O2S2 and molecular weight 353.01 g/mol. IUPAC: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AF-399/41767617
Property Insights of AF-399/41767617
The XLogP value of 3.6153 indicates that AF-399/41767617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AF-399/41767617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41767617 has 0 hydrogen bond donor(s) and 6 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 AF-399/41767617?
The CAS number of AF-399/41767617 is 496776-60-4.
What is the molecular formula of AF-399/41767617?
The molecular formula of AF-399/41767617 is C14H12ClN3O2S2.
What is the molecular weight of AF-399/41767617?
The molecular weight of AF-399/41767617 is 353.01 g/mol.
Where can I buy AF-399/41767617?
You can request a quote for AF-399/41767617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41767617?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41767617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.