(2,4,6-cycloheptatrien-1-ylidene)malonaldehyde
TL;DR: (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde (CAS 80325-74-2) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohepta-2,4,6-trien-1-ylidenepropanedial
Also Known As: (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde, (Cyclohepta-2,4,6-trien-1-ylidene)propanedial, 2-cyclohepta-2,4,6-trien-1-ylidenepropanedial, 2-(1-cyclohepta-2,4,6-trienylidene)propanedial, RefChem:314091
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.363 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 275.80026 |
Chemical Identifiers
| CAS Number | 80325-74-2 |
|---|---|
| SMILES | C1=CC=CC(=C(C=O)C=O)C=C1 |
Product Overview
(2,4,6-cycloheptatrien-1-ylidene)malonaldehyde (CAS 80325-74-2), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 2-cyclohepta-2,4,6-trien-1-ylidenepropanedial.
Chemical Property Profile of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde
Property Insights of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde
The XLogP value of 1.363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde. With a topological polar surface area (TPSA) of 34.14 Ų, (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde has 0 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 (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde?
The CAS number of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde is 80325-74-2.
What is the molecular formula of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde?
The molecular formula of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde is C10H8O2.
What is the molecular weight of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde?
The molecular weight of (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde is 160.05 g/mol.
Where can I buy (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde?
You can request a quote for (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-cycloheptatrien-1-ylidene)malonaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.