2-Benzylidene-pentan-1-al
TL;DR: 2-Benzylidene-pentan-1-al (CAS 1755-44-8) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidenepentanal
Also Known As: 2-benzylidenepentanal, 2-benzylidene-pentan-1-al, (2Z)-2-benzylidenepentanal
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1755-44-8 |
|---|---|
| SMILES | CCCC(=CC1=CC=CC=C1)C=O |
| InChIKey | FMWHWCCEBSGQQV-UHFFFAOYSA-N |
Product Overview
2-Benzylidene-pentan-1-al (CAS 1755-44-8), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2-benzylidenepentanal.
Chemical Property Profile of 2-Benzylidene-pentan-1-al
Property Insights of 2-Benzylidene-pentan-1-al
The XLogP value of 3.2 indicates that 2-Benzylidene-pentan-1-al is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzylidene-pentan-1-al exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-pentan-1-al 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-pentan-1-al?
The CAS number of 2-Benzylidene-pentan-1-al is 1755-44-8.
What is the molecular formula of 2-Benzylidene-pentan-1-al?
The molecular formula of 2-Benzylidene-pentan-1-al is C12H14O.
What is the molecular weight of 2-Benzylidene-pentan-1-al?
The molecular weight of 2-Benzylidene-pentan-1-al is 174.10 g/mol.
Where can I buy 2-Benzylidene-pentan-1-al?
You can request a quote for 2-Benzylidene-pentan-1-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-pentan-1-al?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-pentan-1-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.