5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-
TL;DR: 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- (CAS 58705-37-6) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trimethylcyclohept-5-ene-1,4-dione
Also Known As: 2,2,5-Trimethyl-5-cycloheptene-1,4-dione, 5-Cycloheptene-1,4-dione,2,2,5-trimethyl-, 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-, 2,2,5-trimethylcyclohept-5-ene-1,4-dione, 2,2,5-Trimethyl-5-cycloheptene-1,4-dione #
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 58705-37-6 |
|---|---|
| SMILES | CC1=CCC(=O)C(CC1=O)(C)C |
| InChIKey | MSDBNIIXBPLILP-UHFFFAOYSA-N |
Product Overview
5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- (CAS 58705-37-6), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2,2,5-trimethylcyclohept-5-ene-1,4-dione.
Chemical Property Profile of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-
Property Insights of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- 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 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-?
The CAS number of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- is 58705-37-6.
What is the molecular formula of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-?
The molecular formula of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- is C10H14O2.
What is the molecular weight of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-?
The molecular weight of 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- is 166.10 g/mol.
Where can I buy 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-?
You can request a quote for 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Cycloheptene-1,4-dione, 2,2,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.