Cycloheptane-1,3-dione
TL;DR: Cycloheptane-1,3-dione (CAS 1194-18-9) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloheptane-1,3-dione
Also Known As: Cycloheptane-1,3-dione, 1,3-Cycloheptanedione, null, 1 3-Cycloheptanedione 97, 1,3-cycloheptandione
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.0887 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 121.85158 |
Chemical Identifiers
| CAS Number | 1194-18-9 |
|---|---|
| SMILES | C1CCC(=O)CC(=O)C1 |
Product Overview
Cycloheptane-1,3-dione (CAS 1194-18-9), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: cycloheptane-1,3-dione.
Chemical Property Profile of Cycloheptane-1,3-dione
Property Insights of Cycloheptane-1,3-dione
The XLogP value of 1.0887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptane-1,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, Cycloheptane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptane-1,3-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 Cycloheptane-1,3-dione?
The CAS number of Cycloheptane-1,3-dione is 1194-18-9.
What is the molecular formula of Cycloheptane-1,3-dione?
The molecular formula of Cycloheptane-1,3-dione is C7H10O2.
What is the molecular weight of Cycloheptane-1,3-dione?
The molecular weight of Cycloheptane-1,3-dione is 126.07 g/mol.
Where can I buy Cycloheptane-1,3-dione?
You can request a quote for Cycloheptane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.