BAS 00805093
TL;DR: BAS 00805093 (CAS 332022-65-8) is a chemical compound with molecular formula C21H15ClN2O4S and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: BAS 00805093, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C21H15ClN2O4S |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 4.4314 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0441 |
| Heavy Atoms | 29 |
| Complexity | 1092.7245 |
Chemical Identifiers
| CAS Number | 332022-65-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2C4=NC=CS4 |
Product Overview
BAS 00805093 (CAS 332022-65-8), with molecular formula C21H15ClN2O4S and molecular weight 426.04 g/mol. IUPAC: 4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00805093
Property Insights of BAS 00805093
The XLogP value of 4.4314 indicates that BAS 00805093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805093. Following Lipinski's Rule of Five, BAS 00805093 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 00805093?
The CAS number of BAS 00805093 is 332022-65-8.
What is the molecular formula of BAS 00805093?
The molecular formula of BAS 00805093 is C21H15ClN2O4S.
What is the molecular weight of BAS 00805093?
The molecular weight of BAS 00805093 is 426.04 g/mol.
Where can I buy BAS 00805093?
You can request a quote for BAS 00805093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805093?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.