1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde
TL;DR: 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde (CAS 173531-53-8) is a chemical compound with molecular formula C12H9NO and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynylindole-3-carbaldehyde
Also Known As: 1-Prop-2-ynyl-1H-indole-3-carbaldehyde, 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde, 1-prop-2-ynylindole-3-carbaldehyde, 1-(2-PROPYN-1-YL)-1H-INDOLE-3-CARBALDEHYDE, 4-N-BUTOXYPHENYLISOCYANATE
| Molecular Formula | C12H9NO |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 2.087 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06842 |
| Heavy Atoms | 14 |
| Complexity | 516.5915 |
Chemical Identifiers
| CAS Number | 173531-53-8 |
|---|---|
| SMILES | C#CCN1C=C(C2=CC=CC=C21)C=O |
Product Overview
1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde (CAS 173531-53-8), with molecular formula C12H9NO and molecular weight 183.07 g/mol. IUPAC: 1-prop-2-ynylindole-3-carbaldehyde.
Chemical Property Profile of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde
Property Insights of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde
The XLogP value of 2.087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde 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 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde?
The CAS number of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde is 173531-53-8.
What is the molecular formula of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde?
The molecular formula of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde is C12H9NO.
What is the molecular weight of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde?
The molecular weight of 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde is 183.07 g/mol.
Where can I buy 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde?
You can request a quote for 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.