BAS 00805111
TL;DR: BAS 00805111 (CAS 332022-86-3) is a chemical compound with molecular formula C25H29ClN2O5 and molecular weight 472.18 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-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: BAS 00805111, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-4-[(4-chlorophenyl)carbonyl] -3-hydroxy-3-pyrrolin-2-one, 4-(4-chlorobenzoyl)-1-(2-(diethylamino)ethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H29ClN2O5 |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 4.1207 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.1765 |
| Heavy Atoms | 33 |
| Complexity | 1047.2628 |
Chemical Identifiers
| CAS Number | 332022-86-3 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 00805111 (CAS 332022-86-3), with molecular formula C25H29ClN2O5 and molecular weight 472.18 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00805111
Property Insights of BAS 00805111
The XLogP value of 4.1207 indicates that BAS 00805111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805111. Following Lipinski's Rule of Five, BAS 00805111 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 00805111?
The CAS number of BAS 00805111 is 332022-86-3.
What is the molecular formula of BAS 00805111?
The molecular formula of BAS 00805111 is C25H29ClN2O5.
What is the molecular weight of BAS 00805111?
The molecular weight of BAS 00805111 is 472.18 g/mol.
Where can I buy BAS 00805111?
You can request a quote for BAS 00805111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805111?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.