2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
TL;DR: 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide (CAS 14301-31-6) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-Chloro-N-(3,4-dimethoxyphenethyl)acetamide, ACETAMIDE, 2-CHLORO-N-(3,4-DIMETHOXYPHENETHYL)-, 2-CHLORO-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)ACETAMIDE, N-(Chloroacetyl)-2-(3,4-dimethoxyphenyl)ethylamine
| Molecular Formula | C12H16ClNO3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.08188 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 14301-31-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCl)OC |
| InChIKey | WWBJEBQJHYKQHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide (CAS 14301-31-6), with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol. IUPAC: 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
Property Insights of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide 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 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The CAS number of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is 14301-31-6.
What is the molecular formula of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The molecular formula of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is C12H16ClNO3.
What is the molecular weight of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The molecular weight of 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is 257.08 g/mol.
Where can I buy 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
You can request a quote for 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.