3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione
TL;DR: 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione (CAS 7470-45-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
Also Known As: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 7470-45-3 |
|---|---|
| SMILES | CC1=CC=CC(C(=O)C1=O)(C)C |
| InChIKey | FAGZAOSXHDBROJ-UHFFFAOYSA-N |
Product Overview
3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione (CAS 7470-45-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione.
Chemical Property Profile of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione
Property Insights of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione 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 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione?
The CAS number of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione is 7470-45-3.
What is the molecular formula of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione?
The molecular formula of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione is C10H12O2.
What is the molecular weight of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione?
The molecular weight of 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione is 164.08 g/mol.
Where can I buy 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione?
You can request a quote for 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trimethylcyclohepta-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.