3-(Chloroacetyl)-5,6-dimethoxyindole
TL;DR: 3-(Chloroacetyl)-5,6-dimethoxyindole (CAS 81633-43-4) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
Also Known As: 3-(chloroacetyl)-5,6-dimethoxyindole, 2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone, 2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethan-1-one
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 2.6066 |
| Topological Polar Surface Area | 51.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 562.1212 |
Chemical Identifiers
| CAS Number | 81633-43-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CN2)C(=O)CCl)OC |
Product Overview
3-(Chloroacetyl)-5,6-dimethoxyindole (CAS 81633-43-4), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: 2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone.
Chemical Property Profile of 3-(Chloroacetyl)-5,6-dimethoxyindole
Property Insights of 3-(Chloroacetyl)-5,6-dimethoxyindole
The XLogP value of 2.6066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloroacetyl)-5,6-dimethoxyindole. With a topological polar surface area (TPSA) of 51.32 Ų, 3-(Chloroacetyl)-5,6-dimethoxyindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloroacetyl)-5,6-dimethoxyindole has 1 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 3-(Chloroacetyl)-5,6-dimethoxyindole?
The CAS number of 3-(Chloroacetyl)-5,6-dimethoxyindole is 81633-43-4.
What is the molecular formula of 3-(Chloroacetyl)-5,6-dimethoxyindole?
The molecular formula of 3-(Chloroacetyl)-5,6-dimethoxyindole is C12H12ClNO3.
What is the molecular weight of 3-(Chloroacetyl)-5,6-dimethoxyindole?
The molecular weight of 3-(Chloroacetyl)-5,6-dimethoxyindole is 253.05 g/mol.
Where can I buy 3-(Chloroacetyl)-5,6-dimethoxyindole?
You can request a quote for 3-(Chloroacetyl)-5,6-dimethoxyindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloroacetyl)-5,6-dimethoxyindole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloroacetyl)-5,6-dimethoxyindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.