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N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
TL;DR: N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide (CAS 79087-58-4) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
Also Known As: N-acetyl-5-chlorotryptamine, N-Acetyl-5-Chloro-Tryptamine, N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide, N-ACETHYL-5-CHLOROTRYPTAMINE, N-(2-(5-Chloro-1H-indol-3-yl)ethyl)acetamide
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 79087-58-4 |
|---|---|
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl |
| InChIKey | WJIFPSFOSMKSAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide (CAS 79087-58-4), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
Property Insights of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide. With a topological polar surface area (TPSA) of 44.9 Ų, N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide has 2 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 N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The CAS number of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide is 79087-58-4.
What is the molecular formula of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The molecular formula of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide is C12H13ClN2O.
What is the molecular weight of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The molecular weight of N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide is 236.07 g/mol.
Where can I buy N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
You can request a quote for N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.