AF-399/42100218
TL;DR: AF-399/42100218 (CAS 615271-65-3) is a chemical compound with molecular formula C26H29N3O5 and molecular weight 463.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100218, (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione, (E)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate, 4-(4-(allyloxy)benzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one, 4-[4-(allyloxy)benzoyl]-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H29N3O5 |
|---|---|
| Molecular Weight | 463.21 g/mol |
| LogP | 2.7904 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.21072 |
| Heavy Atoms | 34 |
| Complexity | 1045.8656 |
Chemical Identifiers
| CAS Number | 615271-65-3 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O |
Product Overview
AF-399/42100218 (CAS 615271-65-3), with molecular formula C26H29N3O5 and molecular weight 463.21 g/mol. IUPAC: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100218
Property Insights of AF-399/42100218
The XLogP value of 2.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42100218. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100218. Following Lipinski's Rule of Five, AF-399/42100218 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-399/42100218?
The CAS number of AF-399/42100218 is 615271-65-3.
What is the molecular formula of AF-399/42100218?
The molecular formula of AF-399/42100218 is C26H29N3O5.
What is the molecular weight of AF-399/42100218?
The molecular weight of AF-399/42100218 is 463.21 g/mol.
Where can I buy AF-399/42100218?
You can request a quote for AF-399/42100218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100218?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.