N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide
TL;DR: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide (CAS 875164-13-9) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 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-N-ethylacetamide
Also Known As: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide, N-[(1,3-dioxaindan-5-yl)methyl]-2-chloro-N-ethylacetamide, n-(1,3-Dioxaindan-5-ylmethyl)-2-chloro-n-ethylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-acetamide
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.0026 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 422.21182 |
Chemical Identifiers
| CAS Number | 875164-13-9 |
|---|---|
| SMILES | CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CCl |
Product Overview
N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide (CAS 875164-13-9), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide
Property Insights of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide
The XLogP value of 2.0026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide. With a topological polar surface area (TPSA) of 38.77 Ų, N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide 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-N-ethylacetamide has 0 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-N-ethylacetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide is 875164-13-9.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide is C12H14ClNO3.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide is 255.07 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide 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-N-ethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.