AF-399/41945652
TL;DR: AF-399/41945652 (CAS 609792-51-0) is a chemical compound with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: AF-399/41945652, 2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-chlorophenyl)ethanone, 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxymethyl)-4-phenyl(1,2,4-triazol-3-ylth io)]-1-(4-chlorophenyl)ethan-1-one
| Molecular Formula | C24H18ClN3O4S |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 5.2034 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.07065 |
| Heavy Atoms | 33 |
| Complexity | 1278.8763 |
Chemical Identifiers
| CAS Number | 609792-51-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
AF-399/41945652 (CAS 609792-51-0), with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of AF-399/41945652
Property Insights of AF-399/41945652
The XLogP value of 5.2034 indicates that AF-399/41945652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945652. Following Lipinski's Rule of Five, AF-399/41945652 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41945652?
The CAS number of AF-399/41945652 is 609792-51-0.
What is the molecular formula of AF-399/41945652?
The molecular formula of AF-399/41945652 is C24H18ClN3O4S.
What is the molecular weight of AF-399/41945652?
The molecular weight of AF-399/41945652 is 479.07 g/mol.
Where can I buy AF-399/41945652?
You can request a quote for AF-399/41945652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945652?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.