IFLab1_000744
TL;DR: IFLab1_000744 (CAS 304683-34-9) is a chemical compound with molecular formula C19H19F3N2O4S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Also Known As: IFLab1_000744, F0307-0013, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine, 1-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-4-(3-(trifluoromethyl)phenyl)piperazine, 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
| Molecular Formula | C19H19F3N2O4S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 2.9875 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.10178 |
| Heavy Atoms | 29 |
| Complexity | 1002.7541 |
Chemical Identifiers
| CAS Number | 304683-34-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
IFLab1_000744 (CAS 304683-34-9), with molecular formula C19H19F3N2O4S and molecular weight 428.10 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of IFLab1_000744
Property Insights of IFLab1_000744
The XLogP value of 2.9875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_000744. With a topological polar surface area (TPSA) of 59.08 Ų, IFLab1_000744 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_000744 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 IFLab1_000744?
The CAS number of IFLab1_000744 is 304683-34-9.
What is the molecular formula of IFLab1_000744?
The molecular formula of IFLab1_000744 is C19H19F3N2O4S.
What is the molecular weight of IFLab1_000744?
The molecular weight of IFLab1_000744 is 428.10 g/mol.
Where can I buy IFLab1_000744?
You can request a quote for IFLab1_000744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000744?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.