Propylcinnamic aldehyde
TL;DR: Propylcinnamic aldehyde (CAS 75101-98-3) 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.
(2E)-2-benzylidenepentanal
Also Known As: 2-benzylidenepentanal, Propylcinnamic aldehyde, (2E)-2-benzylidenepentanal, 2-(phenylmethylidene)pentanal, (2E)-3-phenyl-2-propylprop-2-enal
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.069 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 285.2526 |
Chemical Identifiers
| CAS Number | 75101-98-3 |
|---|---|
| SMILES | CCC/C(=C\C1=CC=CC=C1)/C=O |
Product Overview
Propylcinnamic aldehyde (CAS 75101-98-3), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: (2E)-2-benzylidenepentanal.
Chemical Property Profile of Propylcinnamic aldehyde
Property Insights of Propylcinnamic aldehyde
The XLogP value of 3.069 indicates that Propylcinnamic aldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Propylcinnamic aldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylcinnamic aldehyde 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 Propylcinnamic aldehyde?
The CAS number of Propylcinnamic aldehyde is 75101-98-3.
What is the molecular formula of Propylcinnamic aldehyde?
The molecular formula of Propylcinnamic aldehyde is C12H14O.
What is the molecular weight of Propylcinnamic aldehyde?
The molecular weight of Propylcinnamic aldehyde is 174.10 g/mol.
Where can I buy Propylcinnamic aldehyde?
You can request a quote for Propylcinnamic aldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylcinnamic aldehyde?
Yes, KEHONG BIO provides custom synthesis services for Propylcinnamic aldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.