1-Acetyl-2-chloroindole-3-carbaldehyde
TL;DR: 1-Acetyl-2-chloroindole-3-carbaldehyde (CAS 68640-95-9) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2-chloroindole-3-carbaldehyde
Also Known As: 1-acetyl-2-chloroindole-3-carbaldehyde, 1-Acetyl-2-chloro-1H-indole-3-carbaldehyde, 1H-INDOLE-3-CARBOXALDEHYDE,1-ACETYL-2-CHLORO-, RefChem:227297
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 68640-95-9 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O |
| InChIKey | LYYTZWIEMGMEEA-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2-chloroindole-3-carbaldehyde (CAS 68640-95-9), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 1-acetyl-2-chloroindole-3-carbaldehyde.
Chemical Property Profile of 1-Acetyl-2-chloroindole-3-carbaldehyde
Property Insights of 1-Acetyl-2-chloroindole-3-carbaldehyde
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2-chloroindole-3-carbaldehyde. With a topological polar surface area (TPSA) of 39.1 Ų, 1-Acetyl-2-chloroindole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2-chloroindole-3-carbaldehyde 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 1-Acetyl-2-chloroindole-3-carbaldehyde?
The CAS number of 1-Acetyl-2-chloroindole-3-carbaldehyde is 68640-95-9.
What is the molecular formula of 1-Acetyl-2-chloroindole-3-carbaldehyde?
The molecular formula of 1-Acetyl-2-chloroindole-3-carbaldehyde is C11H8ClNO2.
What is the molecular weight of 1-Acetyl-2-chloroindole-3-carbaldehyde?
The molecular weight of 1-Acetyl-2-chloroindole-3-carbaldehyde is 221.02 g/mol.
Where can I buy 1-Acetyl-2-chloroindole-3-carbaldehyde?
You can request a quote for 1-Acetyl-2-chloroindole-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-Acetyl-2-chloroindole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-chloroindole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.