6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-
TL;DR: 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- (CAS 29804-67-9) is a chemical compound with molecular formula C11H10OS and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethylcyclohepta[c]thiophen-6-one
Also Known As: 5,7-Dimethyl-2-thiaazulene-6-one, 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-, 5,7-dimethylcyclohepta[c]thiophen-6-one, 5,7-dimethyl-cyclohepta[c]thiophen-6-one, 6H-Cyclohepta[c]thiophen-6-one, 5,7-dimethyl-
| Molecular Formula | C11H10OS |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.04524 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 29804-67-9 |
|---|---|
| SMILES | CC1=CC2=CSC=C2C=C(C1=O)C |
| InChIKey | FKSUDEJMIGLRTG-UHFFFAOYSA-N |
Product Overview
6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- (CAS 29804-67-9), with molecular formula C11H10OS and molecular weight 190.05 g/mol. IUPAC: 5,7-dimethylcyclohepta[c]thiophen-6-one.
Chemical Property Profile of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-
Property Insights of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-. With a topological polar surface area (TPSA) of 45.3 Ų, 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- has 0 hydrogen bond donor(s) and 2 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 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-?
The CAS number of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- is 29804-67-9.
What is the molecular formula of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-?
The molecular formula of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- is C11H10OS.
What is the molecular weight of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-?
The molecular weight of 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- is 190.05 g/mol.
Where can I buy 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-?
You can request a quote for 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Cyclohepta(c)thiophen-6-one, 5,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.