3-(4-Chloro-3-methylphenoxy)-5-nitroaniline
TL;DR: 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline (CAS 310451-87-7) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-methylphenoxy)-5-nitroaniline
Also Known As: 3-(4-chloro-3-methylphenoxy)-5-nitroaniline, [3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]amine, ZERO/006171, 3-(4-Chloro-3-methyl-phenoxy)-5-nitro-phenylamine, 3-(4-chloro-3-methyl-phenoxy)-5-nitro-aniline
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.93112 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 643.78064 |
Chemical Identifiers
| CAS Number | 310451-87-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N)Cl |
Product Overview
3-(4-Chloro-3-methylphenoxy)-5-nitroaniline (CAS 310451-87-7), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: 3-(4-chloro-3-methylphenoxy)-5-nitroaniline.
Chemical Property Profile of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline
Property Insights of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline
The XLogP value of 3.93112 indicates that 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline. Following Lipinski's Rule of Five, 3-(4-Chloro-3-methylphenoxy)-5-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 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline?
The CAS number of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline is 310451-87-7.
What is the molecular formula of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline?
The molecular formula of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline is C13H11ClN2O3.
What is the molecular weight of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline?
The molecular weight of 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline is 278.05 g/mol.
Where can I buy 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline?
You can request a quote for 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-methylphenoxy)-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.