BAS 01044431
TL;DR: BAS 01044431 (CAS 312504-79-3) is a chemical compound with molecular formula C26H31N3O5 and molecular weight 465.23 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-butoxyphenyl)pyrrolidine-2,5-dione
Also Known As: BAS 01044431, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-butoxyphenyl)-2,5-pyrrolidinedione, A1914/0080476, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(4-butoxyphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C26H31N3O5 |
|---|---|
| Molecular Weight | 465.23 g/mol |
| LogP | 3.0439 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.22638 |
| Heavy Atoms | 34 |
| Complexity | 1033.2317 |
Chemical Identifiers
| CAS Number | 312504-79-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 01044431 (CAS 312504-79-3), with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 01044431
Property Insights of BAS 01044431
The XLogP value of 3.0439 indicates that BAS 01044431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01044431. Following Lipinski's Rule of Five, BAS 01044431 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 01044431?
The CAS number of BAS 01044431 is 312504-79-3.
What is the molecular formula of BAS 01044431?
The molecular formula of BAS 01044431 is C26H31N3O5.
What is the molecular weight of BAS 01044431?
The molecular weight of BAS 01044431 is 465.23 g/mol.
Where can I buy BAS 01044431?
You can request a quote for BAS 01044431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01044431?
Yes, KEHONG BIO provides custom synthesis services for BAS 01044431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.