1,2-Cycloheptanedione
TL;DR: 1,2-Cycloheptanedione (CAS 3008-39-7) 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-1,2-dione
Also Known As: 1,2-Cycloheptanedione, cycloheptane-1,2-dione, cycloheptadione, EINECS 221-121-7, RefChem:71754
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 3008-39-7 |
|---|---|
| SMILES | C1CCC(=O)C(=O)CC1 |
| InChIKey | SLOCIJOTBVAMAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cycloheptanedione (CAS 3008-39-7), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: cycloheptane-1,2-dione.
Chemical Property Profile of 1,2-Cycloheptanedione
Property Insights of 1,2-Cycloheptanedione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cycloheptanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2-Cycloheptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cycloheptanedione 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 1,2-Cycloheptanedione?
The CAS number of 1,2-Cycloheptanedione is 3008-39-7.
What is the molecular formula of 1,2-Cycloheptanedione?
The molecular formula of 1,2-Cycloheptanedione is C7H10O2.
What is the molecular weight of 1,2-Cycloheptanedione?
The molecular weight of 1,2-Cycloheptanedione is 126.07 g/mol.
Where can I buy 1,2-Cycloheptanedione?
You can request a quote for 1,2-Cycloheptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cycloheptanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cycloheptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.