N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid
TL;DR: N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid (CAS 91802-17-4) is a chemical compound with molecular formula C12H16BrNO4 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(2-Bromoethyl)-3,4,5-trimethoxybenzamide, N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide, Benzamide, N-(2-bromoethyl)-3,4,5-trimethoxy-, N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid, RefChem:1090977
| Molecular Formula | C12H16BrNO4 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.02628 |
| Heavy Atoms | 18 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 91802-17-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCCBr |
| InChIKey | ZIKOLQUACPNRLJ-UHFFFAOYSA-N |
Product Overview
N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid (CAS 91802-17-4), with molecular formula C12H16BrNO4 and molecular weight 317.03 g/mol. IUPAC: N-(2-bromoethyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid
Property Insights of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid. With a topological polar surface area (TPSA) of 56.8 Ų, N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid has 1 hydrogen bond donor(s) and 4 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-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid?
The CAS number of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid is 91802-17-4.
What is the molecular formula of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid?
The molecular formula of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid is C12H16BrNO4.
What is the molecular weight of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid?
The molecular weight of N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid is 317.03 g/mol.
Where can I buy N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid?
You can request a quote for N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromoethyl)-3,4,5-trimethoxybenzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.