N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
TL;DR: N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide (CAS 392239-42-8) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-chloroacetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-chloroacetamide, N-1,3-benzodioxol-5-yl-2-chloroacetamide, N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide, benzodioxolylchloroacetamide
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 392239-42-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCl |
| InChIKey | HBIYZYYNHWRQMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide (CAS 392239-42-8), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-chloroacetamide.
Chemical Property Profile of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
Property Insights of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide 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 N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide?
The CAS number of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide is 392239-42-8.
What is the molecular formula of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide?
The molecular formula of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide is C9H8ClNO3.
What is the molecular weight of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide?
The molecular weight of N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide is 213.02 g/mol.
Where can I buy N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide?
You can request a quote for N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.