![2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione structure](/static/products/2595/259544-81-5.webp)
2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione
TL;DR: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione (CAS 259544-81-5) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione
Also Known As: Maybridge3_006640, IDI1_018027, 1,3-Cyclohexanedione, 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]- (9CI), 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione, 2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)cyclohexane-1,3-dione
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.33704 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 462.12207 |
Chemical Identifiers
| CAS Number | 259544-81-5 |
|---|---|
| SMILES | CC1=CC(=C(N1)C=C2C(=O)CCCC2=O)C |
Product Overview
2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione (CAS 259544-81-5), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione.
Chemical Property Profile of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione
Property Insights of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione
The XLogP value of 2.33704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 49.93 Ų, 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione has 1 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 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione?
The CAS number of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione is 259544-81-5.
What is the molecular formula of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione?
The molecular formula of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione is C13H15NO2.
What is the molecular weight of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione?
The molecular weight of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione is 217.11 g/mol.
Where can I buy 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione?
You can request a quote for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)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-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.