4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-
TL;DR: 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- (CAS 102489-67-8) is a chemical compound with molecular formula C9H10ClF3S and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]decane
Also Known As: 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-, 2,2,3-Trifluoro-3-chloro-5,8-methano-2,3,4,5,6,7,8,9-octahydrobenzothiophene, 3-chloro-2,2,3-trifluorooctahydro-4,7-methano-1-benzothiophene, 5-chloro-4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]decane, 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro
| Molecular Formula | C9H10ClF3S |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.01439 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 102489-67-8 |
|---|---|
| SMILES | C1CC2CC1C3C2SC(C3(F)Cl)(F)F |
| InChIKey | RUXVSQHURRSDKA-UHFFFAOYSA-N |
Product Overview
4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- (CAS 102489-67-8), with molecular formula C9H10ClF3S and molecular weight 242.01 g/mol. IUPAC: 5-chloro-4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]decane.
Chemical Property Profile of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-
Property Insights of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-
The XLogP value of 4.0 indicates that 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- 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 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-?
The CAS number of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- is 102489-67-8.
What is the molecular formula of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-?
The molecular formula of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- is C9H10ClF3S.
What is the molecular weight of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-?
The molecular weight of 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- is 242.01 g/mol.
Where can I buy 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-?
You can request a quote for 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methanobenzo(b)thiophene, octahydro-3-chloro-2,2,3-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.