![5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione structure](/static/products/3383/338399-40-9.webp)
5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione
TL;DR: 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione (CAS 338399-40-9) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-(dimethylaminomethylidene)cyclohexane-1,3-dione
Also Known As: US11529321, Compound 5, 5-(4-chlorophenyl)-2-[(dimethylamino)methylidene]cyclohexane-1,3-dione, 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione, 5-(4-chlorophenyl)-2-(dimethylaminomethylidene)cyclohexane-1,3-dione, 5-(4-Chloro-phenyl)-2-dimethylaminomethylene-cyclohexane-1,3-dione
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 338399-40-9 |
|---|---|
| SMILES | CN(C)C=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | ONXLNBUPOIEEBW-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione (CAS 338399-40-9), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 5-(4-chlorophenyl)-2-(dimethylaminomethylidene)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione
Property Insights of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione. With a topological polar surface area (TPSA) of 37.4 Ų, 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione 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 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione?
The CAS number of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione is 338399-40-9.
What is the molecular formula of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione?
The molecular formula of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione is C15H16ClNO2.
What is the molecular weight of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione?
The molecular weight of 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione is 277.09 g/mol.
Where can I buy 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione?
You can request a quote for 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.