AF-399/42100306
TL;DR: AF-399/42100306 (CAS 615271-48-2) is a chemical compound with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100306, 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one, 4-(3,4-dimethoxybenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione, 4-[(3,4-dimethoxyphenyl)carbonyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-p yridyl)-3-pyrrolin-2-one
| Molecular Formula | C23H27N3O5 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | 2.4722 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.19507 |
| Heavy Atoms | 31 |
| Complexity | 987.96136 |
Chemical Identifiers
| CAS Number | 615271-48-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)OC)\O)/C(=O)C1=O)C3=CC=NC=C3 |
Product Overview
AF-399/42100306 (CAS 615271-48-2), with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100306
Property Insights of AF-399/42100306
The XLogP value of 2.4722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42100306. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100306. Following Lipinski's Rule of Five, AF-399/42100306 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-399/42100306?
The CAS number of AF-399/42100306 is 615271-48-2.
What is the molecular formula of AF-399/42100306?
The molecular formula of AF-399/42100306 is C23H27N3O5.
What is the molecular weight of AF-399/42100306?
The molecular weight of AF-399/42100306 is 425.20 g/mol.
Where can I buy AF-399/42100306?
You can request a quote for AF-399/42100306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100306?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.