3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde
TL;DR: 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde (CAS 426221-47-8) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxybenzaldehyde
Also Known As: 3-ALLYL-5-ETHOXY-4-(2-PROPYN-1-YLOXY)BENZALDEHYDE, 3-Allyl-5-ethoxy-4-(prop-2-yn-1-yloxy)benzaldehyde, 3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxybenzaldehyde, 3-allyl-5-ethoxy-4-prop-2-ynoxy-benzaldehyde, W-9482
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.6383 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 469.36243 |
Chemical Identifiers
| CAS Number | 426221-47-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC#C)CC=C)C=O |
Product Overview
3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde (CAS 426221-47-8), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: 3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxybenzaldehyde.
Chemical Property Profile of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde
Property Insights of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde
The XLogP value of 2.6383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde. With a topological polar surface area (TPSA) of 35.53 Ų, 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde has 0 hydrogen bond donor(s) and 3 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 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde?
The CAS number of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde is 426221-47-8.
What is the molecular formula of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde?
The molecular formula of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde is C15H16O3.
What is the molecular weight of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde?
The molecular weight of 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde is 244.11 g/mol.
Where can I buy 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde?
You can request a quote for 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.