![2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone structure](/static/products/943/94386-21-7.png)
2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
TL;DR: 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone (CAS 94386-21-7) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
Also Known As: EINECS 305-243-9, 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone, 2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one, 2,6-Bis((1-methyl-1H-pyrrol-2-yl)methylene)cyclohexan-1-one, 2,6-bis[(1-methyl-1h-pyrrol-2-yl)methylidene]cyclohexanone
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 94386-21-7 |
|---|---|
| SMILES | CN1C=CC=C1C=C2CCCC(=CC3=CC=CN3C)C2=O |
| InChIKey | VTZLPXIVTAFLQG-UHFFFAOYSA-N |
Product Overview
2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone (CAS 94386-21-7), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
Property Insights of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone. With a topological polar surface area (TPSA) of 26.9 Ų, 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone has 0 hydrogen bond donor(s) and 1 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 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone?
The CAS number of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone is 94386-21-7.
What is the molecular formula of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone?
The molecular formula of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone is C18H20N2O.
What is the molecular weight of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone?
The molecular weight of 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone is 280.16 g/mol.
Where can I buy 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone?
You can request a quote for 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.