AF-399/41318974
TL;DR: AF-399/41318974 (CAS 431941-94-5) is a chemical compound with molecular formula C27H23ClN2O4 and molecular weight 474.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41318974, 5-(4-chlorophenyl)-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-[4-(allyloxy)-2-methylbenzoyl]-5-(4-chlorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-chlorophenyl)-3-hydroxy-4-{[2-methyl-4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C27H23ClN2O4 |
|---|---|
| Molecular Weight | 474.13 g/mol |
| LogP | 5.23012 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.13464 |
| Heavy Atoms | 34 |
| Complexity | 1269.5474 |
Chemical Identifiers
| CAS Number | 431941-94-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC=C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl)/O |
Product Overview
AF-399/41318974 (CAS 431941-94-5), with molecular formula C27H23ClN2O4 and molecular weight 474.13 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41318974
Property Insights of AF-399/41318974
The XLogP value of 5.23012 indicates that AF-399/41318974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41318974. Following Lipinski's Rule of Five, AF-399/41318974 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41318974?
The CAS number of AF-399/41318974 is 431941-94-5.
What is the molecular formula of AF-399/41318974?
The molecular formula of AF-399/41318974 is C27H23ClN2O4.
What is the molecular weight of AF-399/41318974?
The molecular weight of AF-399/41318974 is 474.13 g/mol.
Where can I buy AF-399/41318974?
You can request a quote for AF-399/41318974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41318974?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41318974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.