2-Benzylidene-3,7-dimethyloct-6-enal
TL;DR: 2-Benzylidene-3,7-dimethyloct-6-enal (CAS 84041-79-2) is a chemical compound with molecular formula C17H22O and molecular weight 242.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-3,7-dimethyloct-6-enal
Also Known As: EINECS 281-859-0, 2-benzylidene-3,7-dimethyloct-6-enal, 3,7-Dimethyl-2-(phenylmethylene)-6-octenal, 3,7-Dimethyl-2-(phenylmethylene)oct-6-enal, 6-Octenal, 3,7-dimethyl-2-(phenylmethylene)-
| Molecular Formula | C17H22O |
|---|---|
| Molecular Weight | 242.17 g/mol |
| LogP | 4.6514 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.16707 |
| Heavy Atoms | 18 |
| Complexity | 422.18314 |
Chemical Identifiers
| CAS Number | 84041-79-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)C(=CC1=CC=CC=C1)C=O |
Product Overview
2-Benzylidene-3,7-dimethyloct-6-enal (CAS 84041-79-2), with molecular formula C17H22O and molecular weight 242.17 g/mol. IUPAC: 2-benzylidene-3,7-dimethyloct-6-enal.
Chemical Property Profile of 2-Benzylidene-3,7-dimethyloct-6-enal
Property Insights of 2-Benzylidene-3,7-dimethyloct-6-enal
The XLogP value of 4.6514 indicates that 2-Benzylidene-3,7-dimethyloct-6-enal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Benzylidene-3,7-dimethyloct-6-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-3,7-dimethyloct-6-enal 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-Benzylidene-3,7-dimethyloct-6-enal?
The CAS number of 2-Benzylidene-3,7-dimethyloct-6-enal is 84041-79-2.
What is the molecular formula of 2-Benzylidene-3,7-dimethyloct-6-enal?
The molecular formula of 2-Benzylidene-3,7-dimethyloct-6-enal is C17H22O.
What is the molecular weight of 2-Benzylidene-3,7-dimethyloct-6-enal?
The molecular weight of 2-Benzylidene-3,7-dimethyloct-6-enal is 242.17 g/mol.
Where can I buy 2-Benzylidene-3,7-dimethyloct-6-enal?
You can request a quote for 2-Benzylidene-3,7-dimethyloct-6-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-3,7-dimethyloct-6-enal?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3,7-dimethyloct-6-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.