4-(Propargyloxy)benzaldehyde
TL;DR: 4-(Propargyloxy)benzaldehyde (CAS 90649-99-3) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-ynoxybenzaldehyde
Also Known As: 4-(prop-2-yn-1-yloxy)benzaldehyde, 4-(Propargyloxy)benzaldehyde, 4-prop-2-ynoxybenzaldehyde, 4-(2-Propynyloxy)benzaldehyde, 4-(PROP-2-YNYLOXY)BENZALDEHYDE
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.5111 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 292.60977 |
Chemical Identifiers
| CAS Number | 90649-99-3 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)C=O |
Product Overview
4-(Propargyloxy)benzaldehyde (CAS 90649-99-3), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 4-prop-2-ynoxybenzaldehyde.
Chemical Property Profile of 4-(Propargyloxy)benzaldehyde
Property Insights of 4-(Propargyloxy)benzaldehyde
The XLogP value of 1.5111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propargyloxy)benzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Propargyloxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propargyloxy)benzaldehyde has 0 hydrogen bond donor(s) and 2 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-(Propargyloxy)benzaldehyde?
The CAS number of 4-(Propargyloxy)benzaldehyde is 90649-99-3.
What is the molecular formula of 4-(Propargyloxy)benzaldehyde?
The molecular formula of 4-(Propargyloxy)benzaldehyde is C10H8O2.
What is the molecular weight of 4-(Propargyloxy)benzaldehyde?
The molecular weight of 4-(Propargyloxy)benzaldehyde is 160.05 g/mol.
Where can I buy 4-(Propargyloxy)benzaldehyde?
You can request a quote for 4-(Propargyloxy)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propargyloxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propargyloxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.