BAS 03539901
TL;DR: BAS 03539901 (CAS 498569-17-8) is a chemical compound with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 03539901, (4E)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione, 3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one, 3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H29N3O5 |
|---|---|
| Molecular Weight | 451.21 g/mol |
| LogP | 2.54262 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.21072 |
| Heavy Atoms | 33 |
| Complexity | 1047.2628 |
Chemical Identifiers
| CAS Number | 498569-17-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)/O |
Product Overview
BAS 03539901 (CAS 498569-17-8), with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539901
Property Insights of BAS 03539901
The XLogP value of 2.54262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03539901. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539901. Following Lipinski's Rule of Five, BAS 03539901 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 BAS 03539901?
The CAS number of BAS 03539901 is 498569-17-8.
What is the molecular formula of BAS 03539901?
The molecular formula of BAS 03539901 is C25H29N3O5.
What is the molecular weight of BAS 03539901?
The molecular weight of BAS 03539901 is 451.21 g/mol.
Where can I buy BAS 03539901?
You can request a quote for BAS 03539901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539901?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.