Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-
TL;DR: Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- (CAS 67828-64-2) is a chemical compound with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitrobenzene
Also Known As: 2-Ethoxy-3-methoxy-5-methyl-4-nitrochlorobenzene, 5-Chloro-4-ethoxy-3-methoxy-2-nitrotoluene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitrobenzene, Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-, RefChem:562437
| Molecular Formula | C10H12ClNO4 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.04549 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 67828-64-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1OC)[N+](=O)[O-])C)Cl |
| InChIKey | DKCFHMMMWZWEMZ-UHFFFAOYSA-N |
Product Overview
Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- (CAS 67828-64-2), with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol. IUPAC: 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-
Property Insights of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-
The XLogP value of 3.1 indicates that Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-. Following Lipinski's Rule of Five, Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- has 0 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 Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-?
The CAS number of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- is 67828-64-2.
What is the molecular formula of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-?
The molecular formula of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- is C10H12ClNO4.
What is the molecular weight of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-?
The molecular weight of Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- is 245.05 g/mol.
Where can I buy Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-?
You can request a quote for Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.