AF-399/42124338
TL;DR: AF-399/42124338 (CAS 586986-06-3) is a chemical compound with molecular formula C27H27N3O6 and molecular weight 489.19 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]-5-(3-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42124338, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 1-(3-(1H-imidazol-1-yl)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H27N3O6 |
|---|---|
| Molecular Weight | 489.19 g/mol |
| LogP | 3.565 |
| Topological Polar Surface Area | 103.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.18997 |
| Heavy Atoms | 36 |
| Complexity | 1300.5977 |
Chemical Identifiers
| CAS Number | 586986-06-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 |
Product Overview
AF-399/42124338 (CAS 586986-06-3), with molecular formula C27H27N3O6 and molecular weight 489.19 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42124338
Property Insights of AF-399/42124338
The XLogP value of 3.565 indicates that AF-399/42124338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42124338. Following Lipinski's Rule of Five, AF-399/42124338 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-399/42124338?
The CAS number of AF-399/42124338 is 586986-06-3.
What is the molecular formula of AF-399/42124338?
The molecular formula of AF-399/42124338 is C27H27N3O6.
What is the molecular weight of AF-399/42124338?
The molecular weight of AF-399/42124338 is 489.19 g/mol.
Where can I buy AF-399/42124338?
You can request a quote for AF-399/42124338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42124338?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42124338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.