N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide (CAS 39475-43-9) is a chemical compound with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide, BIM-0030511.P001, acetamide, n-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-2,2-dichloroacetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2,2-dichloroacetamide
| Molecular Formula | C10H9Cl2NO3 |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.99594 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 39475-43-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C(Cl)Cl |
| InChIKey | JUTGSFBYRFTEOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide (CAS 39475-43-9), with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide 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-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide is 39475-43-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide is C10H9Cl2NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide is 261.00 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.