N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide (CAS 113260-61-0) is a chemical compound with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2,2,2-trichloroacetamide
| Molecular Formula | C10H8Cl3NO3 |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 2.4017 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.95697 |
| Heavy Atoms | 17 |
| Complexity | 444.91254 |
Chemical Identifiers
| CAS Number | 113260-61-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C(Cl)(Cl)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide (CAS 113260-61-0), with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide
The XLogP value of 2.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide 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)-2,2,2-trichloroacetamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide is 113260-61-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide is C10H8Cl3NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide is 294.96 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide 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)-2,2,2-trichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.