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N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide (CAS 19007-49-9) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide, N-o-nitrobenzoylhomoveratrylamine, N-(3,4-dimethoxyphenethyl)-2-nitrobenzamide, BIM-0028284.P001, N-(3,4-dimethoxyphenethyl)-2-nitrobenzenecarboxamide
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 19007-49-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2[N+](=O)[O-])OC |
| InChIKey | YWFDPMZSVPNYHJ-UHFFFAOYSA-N |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide (CAS 19007-49-9), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide is 19007-49-9.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide is C17H18N2O5.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide is 330.12 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.