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5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline
TL;DR: 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline (CAS 329922-77-2) is a chemical compound with molecular formula C16H17ClN2O3 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline
Also Known As: BIM-0025684.P001, 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline, [2-(3,4-dimethylphenoxy)ethyl](5-chloro-2-nitrophenyl)amine
| Molecular Formula | C16H17ClN2O3 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 4.35594 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.09277 |
| Heavy Atoms | 22 |
| Complexity | 689.0863 |
Chemical Identifiers
| CAS Number | 329922-77-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C |
Product Overview
5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline (CAS 329922-77-2), with molecular formula C16H17ClN2O3 and molecular weight 320.09 g/mol. IUPAC: 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline.
Chemical Property Profile of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline
Property Insights of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline
The XLogP value of 4.35594 indicates that 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline. Following Lipinski's Rule of Five, 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline 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 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline?
The CAS number of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline is 329922-77-2.
What is the molecular formula of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline?
The molecular formula of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline is C16H17ClN2O3.
What is the molecular weight of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline?
The molecular weight of 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline is 320.09 g/mol.
Where can I buy 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline?
You can request a quote for 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[2-(3,4-dimethylphenoxy)ethyl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.