BAS 03540127
TL;DR: BAS 03540127 (CAS 442567-03-5) is a chemical compound with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: BAS 03540127, (4E)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione, 4-(4-butoxy-2-methylbenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1H-pyrrol-2(5H)-one, 4-(4-BUTOXY-2-METHYLBENZOYL)-1-[3-(DIMETHYLAMINO)PROPYL]-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE, 4-[(4-butoxy-2-methylphenyl)carbonyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C28H36N2O6 |
|---|---|
| Molecular Weight | 496.26 g/mol |
| LogP | 4.26152 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.25732 |
| Heavy Atoms | 36 |
| Complexity | 1140.855 |
Chemical Identifiers
| CAS Number | 442567-03-5 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)/O)C |
Product Overview
BAS 03540127 (CAS 442567-03-5), with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol. IUPAC: (4E)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03540127
Property Insights of BAS 03540127
The XLogP value of 4.26152 indicates that BAS 03540127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03540127. Following Lipinski's Rule of Five, BAS 03540127 has 2 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 BAS 03540127?
The CAS number of BAS 03540127 is 442567-03-5.
What is the molecular formula of BAS 03540127?
The molecular formula of BAS 03540127 is C28H36N2O6.
What is the molecular weight of BAS 03540127?
The molecular weight of BAS 03540127 is 496.26 g/mol.
Where can I buy BAS 03540127?
You can request a quote for BAS 03540127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03540127?
Yes, KEHONG BIO provides custom synthesis services for BAS 03540127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.