2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene
TL;DR: 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene (CAS 102489-66-7) is a chemical compound with molecular formula C9H9F3S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]dec-2(6)-ene
Also Known As: trifluoro[?], NCI60_022372, 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methanobenzo(b)thiophene, 4,7-Methanobenzo(b)thiophene, 2,3,4,5,6,7-hexahydro-2,2,3-trifluoro-, 4,7-Methanobenzo[b]thiophene, 2,2,3-trifluoro-2,3,4,5,6,7-hexahydro-
| Molecular Formula | C9H9F3S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0377 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 102489-66-7 |
|---|---|
| SMILES | C1CC2CC1C3=C2SC(C3F)(F)F |
| InChIKey | BNWKOGOFYDNKHF-UHFFFAOYSA-N |
Product Overview
2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene (CAS 102489-66-7), with molecular formula C9H9F3S and molecular weight 206.04 g/mol. IUPAC: 4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]dec-2(6)-ene.
Chemical Property Profile of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene
Property Insights of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene. With a topological polar surface area (TPSA) of 25.3 Ų, 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene has 0 hydrogen bond donor(s) and 4 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 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene?
The CAS number of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene is 102489-66-7.
What is the molecular formula of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene?
The molecular formula of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene is C9H9F3S.
What is the molecular weight of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene?
The molecular weight of 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene is 206.04 g/mol.
Where can I buy 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene?
You can request a quote for 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-Trifluoro-2,3,4,5,6,7-hexahydro-4,7-methano-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.