BAS 03539785
TL;DR: BAS 03539785 (CAS 460044-94-4) is a chemical compound with molecular formula C23H27N3O4 and molecular weight 409.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 03539785, 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, 1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C23H27N3O4 |
|---|---|
| Molecular Weight | 409.20 g/mol |
| LogP | 2.77202 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.20016 |
| Heavy Atoms | 30 |
| Complexity | 969.66846 |
Chemical Identifiers
| CAS Number | 460044-94-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CN=CC=C3)O |
Product Overview
BAS 03539785 (CAS 460044-94-4), with molecular formula C23H27N3O4 and molecular weight 409.20 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539785
Property Insights of BAS 03539785
The XLogP value of 2.77202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03539785. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539785. Following Lipinski's Rule of Five, BAS 03539785 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 03539785?
The CAS number of BAS 03539785 is 460044-94-4.
What is the molecular formula of BAS 03539785?
The molecular formula of BAS 03539785 is C23H27N3O4.
What is the molecular weight of BAS 03539785?
The molecular weight of BAS 03539785 is 409.20 g/mol.
Where can I buy BAS 03539785?
You can request a quote for BAS 03539785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539785?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.