n-(2-Chloroethyl)-3,5-dimethoxybenzamide
TL;DR: n-(2-Chloroethyl)-3,5-dimethoxybenzamide (CAS 15296-86-3) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-3,5-dimethoxybenzamide
Also Known As: NCIOpen2_007031, n-(2-chloroethyl)-3,5-dimethoxybenzamide, Benzamide, N-(2-chloroethyl)-3,5-dimethoxy-, N-(2-CHLOROETHYL)-3,5-DIMETHOXY-BENZAMIDE
| Molecular Formula | C11H14ClNO3 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.06622 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 15296-86-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NCCCl)OC |
| InChIKey | ZSWIOWBGDNDEAN-UHFFFAOYSA-N |
Product Overview
n-(2-Chloroethyl)-3,5-dimethoxybenzamide (CAS 15296-86-3), with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol. IUPAC: N-(2-chloroethyl)-3,5-dimethoxybenzamide.
Chemical Property Profile of n-(2-Chloroethyl)-3,5-dimethoxybenzamide
Property Insights of n-(2-Chloroethyl)-3,5-dimethoxybenzamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Chloroethyl)-3,5-dimethoxybenzamide. With a topological polar surface area (TPSA) of 47.6 Ų, n-(2-Chloroethyl)-3,5-dimethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Chloroethyl)-3,5-dimethoxybenzamide 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-(2-Chloroethyl)-3,5-dimethoxybenzamide?
The CAS number of n-(2-Chloroethyl)-3,5-dimethoxybenzamide is 15296-86-3.
What is the molecular formula of n-(2-Chloroethyl)-3,5-dimethoxybenzamide?
The molecular formula of n-(2-Chloroethyl)-3,5-dimethoxybenzamide is C11H14ClNO3.
What is the molecular weight of n-(2-Chloroethyl)-3,5-dimethoxybenzamide?
The molecular weight of n-(2-Chloroethyl)-3,5-dimethoxybenzamide is 243.07 g/mol.
Where can I buy n-(2-Chloroethyl)-3,5-dimethoxybenzamide?
You can request a quote for n-(2-Chloroethyl)-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Chloroethyl)-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Chloroethyl)-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.