BAS 03304036
TL;DR: BAS 03304036 (CAS 380586-57-2) is a chemical compound with molecular formula C20H20ClN3O3 and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: BAS 03304036, AB00113761-01, 4-(4-chlorobenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione, 4-[(4-chlorophenyl)carbonyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H20ClN3O3 |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.7183 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.11932 |
| Heavy Atoms | 27 |
| Complexity | 879.10474 |
Chemical Identifiers
| CAS Number | 380586-57-2 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=NC=C3 |
Product Overview
BAS 03304036 (CAS 380586-57-2), with molecular formula C20H20ClN3O3 and molecular weight 385.12 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03304036
Property Insights of BAS 03304036
The XLogP value of 2.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03304036. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03304036. Following Lipinski's Rule of Five, BAS 03304036 has 1 hydrogen bond donor(s) and 5 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 03304036?
The CAS number of BAS 03304036 is 380586-57-2.
What is the molecular formula of BAS 03304036?
The molecular formula of BAS 03304036 is C20H20ClN3O3.
What is the molecular weight of BAS 03304036?
The molecular weight of BAS 03304036 is 385.12 g/mol.
Where can I buy BAS 03304036?
You can request a quote for BAS 03304036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03304036?
Yes, KEHONG BIO provides custom synthesis services for BAS 03304036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.