BAS 00417466
TL;DR: BAS 00417466 (CAS 299949-41-0) is a chemical compound with molecular formula C24H27N3O5 and molecular weight 437.20 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-ethoxyphenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00417466, AB00079469-01, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione, 3-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-1-(4-ethoxyphenyl)az olidine-2,5-dione
| Molecular Formula | C24H27N3O5 |
|---|---|
| Molecular Weight | 437.20 g/mol |
| LogP | 2.2637 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.19507 |
| Heavy Atoms | 32 |
| Complexity | 1001.19434 |
Chemical Identifiers
| CAS Number | 299949-41-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 00417466 (CAS 299949-41-0), with molecular formula C24H27N3O5 and molecular weight 437.20 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00417466
Property Insights of BAS 00417466
The XLogP value of 2.2637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00417466. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417466. Following Lipinski's Rule of Five, BAS 00417466 has 0 hydrogen bond donor(s) and 7 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 00417466?
The CAS number of BAS 00417466 is 299949-41-0.
What is the molecular formula of BAS 00417466?
The molecular formula of BAS 00417466 is C24H27N3O5.
What is the molecular weight of BAS 00417466?
The molecular weight of BAS 00417466 is 437.20 g/mol.
Where can I buy BAS 00417466?
You can request a quote for BAS 00417466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417466?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.