5-Chloro-4-ethoxy-2-nitrotoluene
TL;DR: 5-Chloro-4-ethoxy-2-nitrotoluene (CAS 67828-40-4) is a chemical compound with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-ethoxy-5-methyl-4-nitrobenzene
Also Known As: 5-Chloro-4-ethoxy-2-nitrotoluene, 2-Ethoxy-5-methyl-4-nitrochlorobenzene, 1-chloro-2-ethoxy-5-methyl-4-nitrobenzene, Benzene, 1-chloro-2-ethoxy-5-methyl-4-nitro-, 267-262-8
| Molecular Formula | C9H10ClNO3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.03493 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 67828-40-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C)Cl |
| InChIKey | ZUWXJEWJAWOZRW-UHFFFAOYSA-N |
Product Overview
5-Chloro-4-ethoxy-2-nitrotoluene (CAS 67828-40-4), with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol. IUPAC: 1-chloro-2-ethoxy-5-methyl-4-nitrobenzene.
Chemical Property Profile of 5-Chloro-4-ethoxy-2-nitrotoluene
Property Insights of 5-Chloro-4-ethoxy-2-nitrotoluene
The XLogP value of 3.1 indicates that 5-Chloro-4-ethoxy-2-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-Chloro-4-ethoxy-2-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-ethoxy-2-nitrotoluene has 0 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 5-Chloro-4-ethoxy-2-nitrotoluene?
The CAS number of 5-Chloro-4-ethoxy-2-nitrotoluene is 67828-40-4.
What is the molecular formula of 5-Chloro-4-ethoxy-2-nitrotoluene?
The molecular formula of 5-Chloro-4-ethoxy-2-nitrotoluene is C9H10ClNO3.
What is the molecular weight of 5-Chloro-4-ethoxy-2-nitrotoluene?
The molecular weight of 5-Chloro-4-ethoxy-2-nitrotoluene is 215.03 g/mol.
Where can I buy 5-Chloro-4-ethoxy-2-nitrotoluene?
You can request a quote for 5-Chloro-4-ethoxy-2-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-ethoxy-2-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-ethoxy-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.