4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde
TL;DR: 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde (CAS 428471-45-8) is a chemical compound with molecular formula C12H13IO3 and molecular weight 331.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-5-iodo-4-prop-2-enoxybenzaldehyde
Also Known As: 4-(ALLYLOXY)-3-ETHOXY-5-IODOBENZALDEHYDE, 3-ethoxy-5-iodo-4-(prop-2-en-1-yloxy)benzaldehyde, 3-ethoxy-5-iodo-4-prop-2-enoxybenzaldehyde, 4-allyloxy-3-ethoxy-5-iodo-benzaldehyde, 5-ethoxy-3-iodo-4-prop-2-enyloxybenzaldehyde
| Molecular Formula | C12H13IO3 |
|---|---|
| Molecular Weight | 331.99 g/mol |
| LogP | 3.0672 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.99094 |
| Heavy Atoms | 16 |
| Complexity | 388.09543 |
Chemical Identifiers
| CAS Number | 428471-45-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)I)OCC=C |
Product Overview
4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde (CAS 428471-45-8), with molecular formula C12H13IO3 and molecular weight 331.99 g/mol. IUPAC: 3-ethoxy-5-iodo-4-prop-2-enoxybenzaldehyde.
Chemical Property Profile of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde
Property Insights of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde
The XLogP value of 3.0672 indicates that 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde 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 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde?
The CAS number of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde is 428471-45-8.
What is the molecular formula of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde?
The molecular formula of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde is C12H13IO3.
What is the molecular weight of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde?
The molecular weight of 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde is 331.99 g/mol.
Where can I buy 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde?
You can request a quote for 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allyloxy)-3-ethoxy-5-iodobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.