AF-399/42099941
TL;DR: AF-399/42099941 (CAS 615276-08-9) is a chemical compound with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42099941, (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione, (E)-(3,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate, 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H32N2O7 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | 2.8564 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.22095 |
| Heavy Atoms | 36 |
| Complexity | 1123.4421 |
Chemical Identifiers
| CAS Number | 615276-08-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CCCN4CCOCC4 |
Product Overview
AF-399/42099941 (CAS 615276-08-9), with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42099941
Property Insights of AF-399/42099941
The XLogP value of 2.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42099941. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42099941. Following Lipinski's Rule of Five, AF-399/42099941 has 1 hydrogen bond donor(s) and 8 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-399/42099941?
The CAS number of AF-399/42099941 is 615276-08-9.
What is the molecular formula of AF-399/42099941?
The molecular formula of AF-399/42099941 is C27H32N2O7.
What is the molecular weight of AF-399/42099941?
The molecular weight of AF-399/42099941 is 496.22 g/mol.
Where can I buy AF-399/42099941?
You can request a quote for AF-399/42099941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42099941?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42099941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.