BAS 00702894
TL;DR: BAS 00702894 (CAS 331966-60-0) is a chemical compound with molecular formula C21H19F3IN3O2 and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-iodophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00702894, 1-(4-iodophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-iodophenyl)-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione, 1-(4-iodophenyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-(4-iodophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
| Molecular Formula | C21H19F3IN3O2 |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 3.7641 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.0474 |
| Heavy Atoms | 30 |
| Complexity | 956.7141 |
Chemical Identifiers
| CAS Number | 331966-60-0 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)I)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00702894 (CAS 331966-60-0), with molecular formula C21H19F3IN3O2 and molecular weight 529.05 g/mol. IUPAC: 1-(4-iodophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00702894
Property Insights of BAS 00702894
The XLogP value of 3.7641 indicates that BAS 00702894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, BAS 00702894 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00702894 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00702894?
The CAS number of BAS 00702894 is 331966-60-0.
What is the molecular formula of BAS 00702894?
The molecular formula of BAS 00702894 is C21H19F3IN3O2.
What is the molecular weight of BAS 00702894?
The molecular weight of BAS 00702894 is 529.05 g/mol.
Where can I buy BAS 00702894?
You can request a quote for BAS 00702894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702894?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.