![Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- structure](/static/products/199/199807-57-3.png)
Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-
TL;DR: Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- (CAS 199807-57-3) is a chemical compound with molecular formula C12H14S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
Also Known As: 2,6,7,8,9,9a-hexahydrocyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-Hexahydro-1-thia-1H-benz[cd]azulene, Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-, 2-thiatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
| Molecular Formula | C12H14S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.08162 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 199807-57-3 |
|---|---|
| SMILES | C1CCC2=C3C(C1)SCC3=CC=C2 |
| InChIKey | ZWHJDQXXGNGYCJ-UHFFFAOYSA-N |
Product Overview
Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- (CAS 199807-57-3), with molecular formula C12H14S and molecular weight 190.08 g/mol. IUPAC: 2-thiatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
Chemical Property Profile of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-
Property Insights of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-
The XLogP value of 3.3 indicates that Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- has 0 hydrogen bond donor(s) and 1 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 Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-?
The CAS number of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- is 199807-57-3.
What is the molecular formula of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-?
The molecular formula of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- is C12H14S.
What is the molecular weight of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-?
The molecular weight of Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- is 190.08 g/mol.
Where can I buy Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-?
You can request a quote for Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohepta[cd][2]benzothiophene, 2,6,7,8,9,9a-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.