BAS 00702513
TL;DR: BAS 00702513 (CAS 331966-25-7) is a chemical compound with molecular formula C24H26F3N3O3 and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00702513, BIM-0022930.P001, AB00087552-01, 1-(4-propoxyphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, A0918/0042977
| Molecular Formula | C24H26F3N3O3 |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 3.9483 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.19263 |
| Heavy Atoms | 33 |
| Complexity | 1002.0043 |
Chemical Identifiers
| CAS Number | 331966-25-7 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00702513 (CAS 331966-25-7), with molecular formula C24H26F3N3O3 and molecular weight 461.19 g/mol. IUPAC: 1-(4-propoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00702513
Property Insights of BAS 00702513
The XLogP value of 3.9483 indicates that BAS 00702513 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 00702513 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00702513 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 00702513?
The CAS number of BAS 00702513 is 331966-25-7.
What is the molecular formula of BAS 00702513?
The molecular formula of BAS 00702513 is C24H26F3N3O3.
What is the molecular weight of BAS 00702513?
The molecular weight of BAS 00702513 is 461.19 g/mol.
Where can I buy BAS 00702513?
You can request a quote for BAS 00702513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702513?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.