BAS 03787899
TL;DR: BAS 03787899 (CAS 500277-48-5) is a chemical compound with molecular formula C26H33N3O4 and molecular weight 451.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: BAS 03787899, AF-399/41702972, 4-(4-butoxy-3-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-pyridin-4-yl-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione, 4-(4-butoxy-3-methylbenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H33N3O4 |
|---|---|
| Molecular Weight | 451.25 g/mol |
| LogP | 3.94232 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.2471 |
| Heavy Atoms | 33 |
| Complexity | 1017.45197 |
Chemical Identifiers
| CAS Number | 500277-48-5 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=NC=C3)/O)C |
Product Overview
BAS 03787899 (CAS 500277-48-5), with molecular formula C26H33N3O4 and molecular weight 451.25 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03787899
Property Insights of BAS 03787899
The XLogP value of 3.94232 indicates that BAS 03787899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03787899. Following Lipinski's Rule of Five, BAS 03787899 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 BAS 03787899?
The CAS number of BAS 03787899 is 500277-48-5.
What is the molecular formula of BAS 03787899?
The molecular formula of BAS 03787899 is C26H33N3O4.
What is the molecular weight of BAS 03787899?
The molecular weight of BAS 03787899 is 451.25 g/mol.
Where can I buy BAS 03787899?
You can request a quote for BAS 03787899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03787899?
Yes, KEHONG BIO provides custom synthesis services for BAS 03787899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.