![2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione structure](/static/products/853/85302-07-4.png)
2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione
TL;DR: 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione (CAS 85302-07-4) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminomethylidene)cyclohexane-1,3-dione
Also Known As: 2-((Dimethylamino)methylene)cyclohexane-1,3-dione, 2-[(Dimethylamino)methylene]-1,3-cyclohexanedione, 2-Dimethylaminomethylenecyclohexane-1,3-dione, 2-[(dimethylamino)methylidene]cyclohexane-1,3-dione, 2-(dimethylaminomethylidene)cyclohexane-1,3-dione
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 85302-07-4 |
|---|---|
| SMILES | CN(C)C=C1C(=O)CCCC1=O |
| InChIKey | USUMAAZJCOVPIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione (CAS 85302-07-4), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 2-(dimethylaminomethylidene)cyclohexane-1,3-dione.
Chemical Property Profile of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione
Property Insights of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 3 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 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione?
The CAS number of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione is 85302-07-4.
What is the molecular formula of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione?
The molecular formula of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione is C9H13NO2.
What is the molecular weight of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione?
The molecular weight of 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione is 167.09 g/mol.
Where can I buy 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione?
You can request a quote for 2-[(Dimethylamino)methylidene]cyclohexane-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 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.