BAS 00702678
TL;DR: BAS 00702678 (CAS 331966-35-9) is a chemical compound with molecular formula C22H21Cl2N3O4 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00702678, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(3,4-dichlorophenyl)-2,5-pyrrolidinedione, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione, 3-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-1-(3,4-dichloropheny l)azolidine-2,5-dione
| Molecular Formula | C22H21Cl2N3O4 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 3.1718 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0909 |
| Heavy Atoms | 31 |
| Complexity | 1039.4113 |
Chemical Identifiers
| CAS Number | 331966-35-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
BAS 00702678 (CAS 331966-35-9), with molecular formula C22H21Cl2N3O4 and molecular weight 461.09 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00702678
Property Insights of BAS 00702678
The XLogP value of 3.1718 indicates that BAS 00702678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702678. Following Lipinski's Rule of Five, BAS 00702678 has 0 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 00702678?
The CAS number of BAS 00702678 is 331966-35-9.
What is the molecular formula of BAS 00702678?
The molecular formula of BAS 00702678 is C22H21Cl2N3O4.
What is the molecular weight of BAS 00702678?
The molecular weight of BAS 00702678 is 461.09 g/mol.
Where can I buy BAS 00702678?
You can request a quote for BAS 00702678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702678?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.