Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-
TL;DR: Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- (CAS 53585-11-8) 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.
(4Z)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal
Also Known As: Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-, 4-methyl-1-(1'-propanalethylidene)-3-cyclohexene, J1.572.256H, (4Z)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal, (Z)-4-(4-Methyl-3-cyclohexenylidene)pentanal
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.4122 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 245.8501 |
Chemical Identifiers
| CAS Number | 53585-11-8 |
|---|---|
| SMILES | CC1=CC/C(=C(/C)\CCC=O)/CC1 |
Product Overview
Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- (CAS 53585-11-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (4Z)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal.
Chemical Property Profile of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-
Property Insights of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-
The XLogP value of 3.4122 indicates that Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- 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 Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-?
The CAS number of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- is 53585-11-8.
What is the molecular formula of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-?
The molecular formula of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- is C12H18O.
What is the molecular weight of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-?
The molecular weight of Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- is 178.14 g/mol.
Where can I buy Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-?
You can request a quote for Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.