BAS 00583806
TL;DR: BAS 00583806 (CAS 331759-52-5) is a chemical compound with molecular formula C21H21Cl2N3O3 and molecular weight 433.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00583806, AB00101377-01, 1-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione, 1-(3,4-dichlorophenyl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
| Molecular Formula | C21H21Cl2N3O3 |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 3.4561 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.096 |
| Heavy Atoms | 29 |
| Complexity | 944.5186 |
Chemical Identifiers
| CAS Number | 331759-52-5 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
BAS 00583806 (CAS 331759-52-5), with molecular formula C21H21Cl2N3O3 and molecular weight 433.10 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00583806
Property Insights of BAS 00583806
The XLogP value of 3.4561 indicates that BAS 00583806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, BAS 00583806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00583806 has 0 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 00583806?
The CAS number of BAS 00583806 is 331759-52-5.
What is the molecular formula of BAS 00583806?
The molecular formula of BAS 00583806 is C21H21Cl2N3O3.
What is the molecular weight of BAS 00583806?
The molecular weight of BAS 00583806 is 433.10 g/mol.
Where can I buy BAS 00583806?
You can request a quote for BAS 00583806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00583806?
Yes, KEHONG BIO provides custom synthesis services for BAS 00583806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.