TOS-BB-0696
TL;DR: TOS-BB-0696 (CAS 885371-79-9) is a chemical compound with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
Also Known As: TOS-BB-0696, 1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione, (E)-1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
| Molecular Formula | C12H9F3O3 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.496 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05038 |
| Heavy Atoms | 18 |
| Complexity | 489.58615 |
Chemical Identifiers
| CAS Number | 885371-79-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC(=O)CC(=O)C(F)(F)F)O |
Product Overview
TOS-BB-0696 (CAS 885371-79-9), with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol. IUPAC: 1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione.
Chemical Property Profile of TOS-BB-0696
Property Insights of TOS-BB-0696
The XLogP value of 2.496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOS-BB-0696. With a topological polar surface area (TPSA) of 54.37 Ų, TOS-BB-0696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TOS-BB-0696 has 1 hydrogen bond donor(s) and 3 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 TOS-BB-0696?
The CAS number of TOS-BB-0696 is 885371-79-9.
What is the molecular formula of TOS-BB-0696?
The molecular formula of TOS-BB-0696 is C12H9F3O3.
What is the molecular weight of TOS-BB-0696?
The molecular weight of TOS-BB-0696 is 258.05 g/mol.
Where can I buy TOS-BB-0696?
You can request a quote for TOS-BB-0696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOS-BB-0696?
Yes, KEHONG BIO provides custom synthesis services for TOS-BB-0696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.