N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide
TL;DR: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide (CAS 112776-46-2) is a chemical compound with molecular formula C16H14ClNO3 and molecular weight 303.07 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-chloro-2-phenylacetamide
Also Known As: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide, N-[(1,3-dioxaindan-5-yl)methyl]-2-chloro-2-phenylacetamide, n-(1,3-Dioxaindan-5-ylmethyl)-2-chloro-2-phenylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenyl-acetamide
| Molecular Formula | C16H14ClNO3 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.0116 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.06622 |
| Heavy Atoms | 21 |
| Complexity | 645.2253 |
Chemical Identifiers
| CAS Number | 112776-46-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=CC=C3)Cl |
Product Overview
N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide (CAS 112776-46-2), with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide
Property Insights of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide
The XLogP value of 3.0116 indicates that N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide 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-ylmethyl)-2-chloro-2-phenylacetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide is 112776-46-2.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide is C16H14ClNO3.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide is 303.07 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide 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-ylmethyl)-2-chloro-2-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-2-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.