3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde
TL;DR: 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde (CAS 812642-63-0) is a chemical compound with molecular formula C10H7IO2 and molecular weight 285.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4-prop-2-ynoxybenzaldehyde
Also Known As: 3-iodo-4-(prop-2-yn-1-yloxy)benzaldehyde, 3-iodo-4-prop-2-ynoxybenzaldehyde, 3-iodo-4-prop-2-ynoxy-benzaldehyde, CHEMBRDG-BB 6504960, 3-Iodo-4-(2-propyn-1-yloxy)benzaldehyde
| Molecular Formula | C10H7IO2 |
|---|---|
| Molecular Weight | 285.95 g/mol |
| LogP | 2.1157 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.94907 |
| Heavy Atoms | 13 |
| Complexity | 352.43265 |
Chemical Identifiers
| CAS Number | 812642-63-0 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)C=O)I |
Product Overview
3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde (CAS 812642-63-0), with molecular formula C10H7IO2 and molecular weight 285.95 g/mol. IUPAC: 3-iodo-4-prop-2-ynoxybenzaldehyde.
Chemical Property Profile of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde
Property Insights of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde
The XLogP value of 2.1157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodo-4-(prop-2-yn-1-yloxy)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 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde?
The CAS number of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde is 812642-63-0.
What is the molecular formula of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde?
The molecular formula of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde is C10H7IO2.
What is the molecular weight of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde?
The molecular weight of 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde is 285.95 g/mol.
Where can I buy 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde?
You can request a quote for 3-Iodo-4-(prop-2-yn-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-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.