2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone
TL;DR: 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone (CAS 94386-22-8) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(1H-pyrrol-2-ylmethylidene)cyclohexan-1-one
Also Known As: 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one, 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone, 2,6-bis[(1H-pyrrol-2-yl)methylidene]cyclohexan-1-one
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 94386-22-8 |
|---|---|
| SMILES | C1CC(=CC2=CC=CN2)C(=O)C(=CC3=CC=CN3)C1 |
| InChIKey | UKIUACHVRRQMGB-UHFFFAOYSA-N |
Product Overview
2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone (CAS 94386-22-8), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: 2,6-bis(1H-pyrrol-2-ylmethylidene)cyclohexan-1-one.
Chemical Property Profile of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone
Property Insights of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone. With a topological polar surface area (TPSA) of 48.7 Ų, 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone has 2 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(1H-pyrrol-2-ylmethylene)cyclohexanone?
The CAS number of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone is 94386-22-8.
What is the molecular formula of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone?
The molecular formula of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone is C16H16N2O.
What is the molecular weight of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone?
The molecular weight of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone is 252.13 g/mol.
Where can I buy 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone?
You can request a quote for 2,6-Bis(1H-pyrrol-2-ylmethylene)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(1H-pyrrol-2-ylmethylene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.