AF-399/42017432
TL;DR: AF-399/42017432 (CAS 618362-57-5) is a chemical compound with molecular formula C22H21NO6S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42017432, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-((tetrahydrofuran-2-yl)methyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H21NO6S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 3.12 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.10895 |
| Heavy Atoms | 30 |
| Complexity | 1008.64 |
Chemical Identifiers
| CAS Number | 618362-57-5 |
|---|---|
| SMILES | C1CC(OC1)CN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=CS5 |
Product Overview
AF-399/42017432 (CAS 618362-57-5), with molecular formula C22H21NO6S and molecular weight 427.11 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42017432
Property Insights of AF-399/42017432
The XLogP value of 3.12 indicates that AF-399/42017432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42017432. Following Lipinski's Rule of Five, AF-399/42017432 has 1 hydrogen bond donor(s) and 7 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-399/42017432?
The CAS number of AF-399/42017432 is 618362-57-5.
What is the molecular formula of AF-399/42017432?
The molecular formula of AF-399/42017432 is C22H21NO6S.
What is the molecular weight of AF-399/42017432?
The molecular weight of AF-399/42017432 is 427.11 g/mol.
Where can I buy AF-399/42017432?
You can request a quote for AF-399/42017432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42017432?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42017432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.