BAS 00805112
TL;DR: BAS 00805112 (CAS 332022-87-4) is a chemical compound with molecular formula C23H24BrFN2O3 and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 00805112, BIM-0033330.P001, 4-(4-bromobenzoyl)-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-4-[(4-bromophenyl)carbonyl]-5-(2-fluorophenyl)-3-hyd roxy-3-pyrrolin-2-one
| Molecular Formula | C23H24BrFN2O3 |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 4.3517 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.09543 |
| Heavy Atoms | 30 |
| Complexity | 970.66846 |
Chemical Identifiers
| CAS Number | 332022-87-4 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=CC=C3F |
Product Overview
BAS 00805112 (CAS 332022-87-4), with molecular formula C23H24BrFN2O3 and molecular weight 474.10 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00805112
Property Insights of BAS 00805112
The XLogP value of 4.3517 indicates that BAS 00805112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805112. Following Lipinski's Rule of Five, BAS 00805112 has 1 hydrogen bond donor(s) and 4 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 00805112?
The CAS number of BAS 00805112 is 332022-87-4.
What is the molecular formula of BAS 00805112?
The molecular formula of BAS 00805112 is C23H24BrFN2O3.
What is the molecular weight of BAS 00805112?
The molecular weight of BAS 00805112 is 474.10 g/mol.
Where can I buy BAS 00805112?
You can request a quote for BAS 00805112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805112?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.