BAS 00417515
TL;DR: BAS 00417515 (CAS 296800-81-2) is a chemical compound with molecular formula C22H22ClN3O4 and molecular weight 427.13 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-(4-chlorophenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00417515, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-chlorophenyl)pyrrolidine-2,5-dione, A0850/0039798, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-chlorophenyl)-2,5-pyrrolidinedione, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H22ClN3O4 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 2.5184 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.12988 |
| Heavy Atoms | 30 |
| Complexity | 972.84796 |
Chemical Identifiers
| CAS Number | 296800-81-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)Cl |
Product Overview
BAS 00417515 (CAS 296800-81-2), with molecular formula C22H22ClN3O4 and molecular weight 427.13 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00417515
Property Insights of BAS 00417515
The XLogP value of 2.5184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00417515. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417515. Following Lipinski's Rule of Five, BAS 00417515 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 00417515?
The CAS number of BAS 00417515 is 296800-81-2.
What is the molecular formula of BAS 00417515?
The molecular formula of BAS 00417515 is C22H22ClN3O4.
What is the molecular weight of BAS 00417515?
The molecular weight of BAS 00417515 is 427.13 g/mol.
Where can I buy BAS 00417515?
You can request a quote for BAS 00417515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417515?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.