BAS 03787639
TL;DR: BAS 03787639 (CAS 460045-93-6) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 03787639, 1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C22H25N3O4 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 2.38192 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1845 |
| Heavy Atoms | 29 |
| Complexity | 953.78467 |
Chemical Identifiers
| CAS Number | 460045-93-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)OC |
Product Overview
BAS 03787639 (CAS 460045-93-6), with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03787639
Property Insights of BAS 03787639
The XLogP value of 2.38192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03787639. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03787639. Following Lipinski's Rule of Five, BAS 03787639 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 03787639?
The CAS number of BAS 03787639 is 460045-93-6.
What is the molecular formula of BAS 03787639?
The molecular formula of BAS 03787639 is C22H25N3O4.
What is the molecular weight of BAS 03787639?
The molecular weight of BAS 03787639 is 395.18 g/mol.
Where can I buy BAS 03787639?
You can request a quote for BAS 03787639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03787639?
Yes, KEHONG BIO provides custom synthesis services for BAS 03787639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.