BAS 04059191
TL;DR: BAS 04059191 (CAS 380158-61-2) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 04059191, AB00113948-01, AF-399/41319102, 4-(4-chlorobenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.1084 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.13498 |
| Heavy Atoms | 28 |
| Complexity | 894.87164 |
Chemical Identifiers
| CAS Number | 380158-61-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CN=CC=C3 |
Product Overview
BAS 04059191 (CAS 380158-61-2), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 04059191
Property Insights of BAS 04059191
The XLogP value of 3.1084 indicates that BAS 04059191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04059191. Following Lipinski's Rule of Five, BAS 04059191 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 04059191?
The CAS number of BAS 04059191 is 380158-61-2.
What is the molecular formula of BAS 04059191?
The molecular formula of BAS 04059191 is C21H22ClN3O3.
What is the molecular weight of BAS 04059191?
The molecular weight of BAS 04059191 is 399.13 g/mol.
Where can I buy BAS 04059191?
You can request a quote for BAS 04059191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04059191?
Yes, KEHONG BIO provides custom synthesis services for BAS 04059191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.