4-(2,5-Dimethylcyclohexylidene)-2-butenal
TL;DR: 4-(2,5-Dimethylcyclohexylidene)-2-butenal (CAS 93840-77-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylcyclohexylidene)but-2-enal
Also Known As: 4-(2,5-Dimethylcyclohexylidene)-2-butenal, 4-(2,5-dimethylcyclohexylidene)but-2-enal
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.124 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 225.27898 |
Chemical Identifiers
| CAS Number | 93840-77-8 |
|---|---|
| SMILES | CC1CCC(C(=CC=CC=O)C1)C |
Product Overview
4-(2,5-Dimethylcyclohexylidene)-2-butenal (CAS 93840-77-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-(2,5-dimethylcyclohexylidene)but-2-enal.
Chemical Property Profile of 4-(2,5-Dimethylcyclohexylidene)-2-butenal
Property Insights of 4-(2,5-Dimethylcyclohexylidene)-2-butenal
The XLogP value of 3.124 indicates that 4-(2,5-Dimethylcyclohexylidene)-2-butenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(2,5-Dimethylcyclohexylidene)-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethylcyclohexylidene)-2-butenal 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 4-(2,5-Dimethylcyclohexylidene)-2-butenal?
The CAS number of 4-(2,5-Dimethylcyclohexylidene)-2-butenal is 93840-77-8.
What is the molecular formula of 4-(2,5-Dimethylcyclohexylidene)-2-butenal?
The molecular formula of 4-(2,5-Dimethylcyclohexylidene)-2-butenal is C12H18O.
What is the molecular weight of 4-(2,5-Dimethylcyclohexylidene)-2-butenal?
The molecular weight of 4-(2,5-Dimethylcyclohexylidene)-2-butenal is 178.14 g/mol.
Where can I buy 4-(2,5-Dimethylcyclohexylidene)-2-butenal?
You can request a quote for 4-(2,5-Dimethylcyclohexylidene)-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethylcyclohexylidene)-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethylcyclohexylidene)-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.