2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene
TL;DR: 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene (CAS 102489-68-9) is a chemical compound with molecular formula C9H8F2S and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-difluoro-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene
Also Known As: difluoro[?], 2,3-Difluoro-4,7-methano-5,6-dihydrobenzo(b)thiophene, NCI60_022373, 4,7-Methanobenzo(b)thiophene, 4,5,6,7-tetrahydro-2,3-difluoro-, 4,7-Methanobenzo[b]thiophene, 2,3-difluoro-4,5,6,7-tetrahydro-
| Molecular Formula | C9H8F2S |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.03148 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 102489-68-9 |
|---|---|
| SMILES | C1CC2CC1C3=C2SC(=C3F)F |
| InChIKey | AZGCQKXBHQVHFX-UHFFFAOYSA-N |
Product Overview
2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene (CAS 102489-68-9), with molecular formula C9H8F2S and molecular weight 186.03 g/mol. IUPAC: 4,5-difluoro-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene.
Chemical Property Profile of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene
Property Insights of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene
The XLogP value of 3.1 indicates that 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene has 0 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 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene?
The CAS number of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene is 102489-68-9.
What is the molecular formula of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene?
The molecular formula of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene is C9H8F2S.
What is the molecular weight of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene?
The molecular weight of 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene is 186.03 g/mol.
Where can I buy 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene?
You can request a quote for 2,3-Difluoro-4,5,6,7-tetrahydro-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 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Difluoro-4,5,6,7-tetrahydro-4,7-methano-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.