AF-399/42100066
TL;DR: AF-399/42100066 (CAS 613220-01-2) is a chemical compound with molecular formula C27H29FN2O5 and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42100066, (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione, (E)-[2-(4-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate, 4-[4-(allyloxy)benzoyl]-5-(4-fluorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one, (4Z)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H29FN2O5 |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 3.5345 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.20605 |
| Heavy Atoms | 35 |
| Complexity | 1091.5596 |
Chemical Identifiers
| CAS Number | 613220-01-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)/O |
Product Overview
AF-399/42100066 (CAS 613220-01-2), with molecular formula C27H29FN2O5 and molecular weight 480.21 g/mol. IUPAC: (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100066
Property Insights of AF-399/42100066
The XLogP value of 3.5345 indicates that AF-399/42100066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100066. Following Lipinski's Rule of Five, AF-399/42100066 has 1 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-399/42100066?
The CAS number of AF-399/42100066 is 613220-01-2.
What is the molecular formula of AF-399/42100066?
The molecular formula of AF-399/42100066 is C27H29FN2O5.
What is the molecular weight of AF-399/42100066?
The molecular weight of AF-399/42100066 is 480.21 g/mol.
Where can I buy AF-399/42100066?
You can request a quote for AF-399/42100066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100066?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.