2,4-Dichloro-3-ethyl-6-nitrophenolate
TL;DR: 2,4-Dichloro-3-ethyl-6-nitrophenolate (CAS 99817-36-4) is a chemical compound with molecular formula C8H6Cl2NO3- and molecular weight 233.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-3-ethyl-6-nitrophenolate
Also Known As: 2,4-Dichloro-3-ethyl-6-nitrophenol, 2,4-dichloro-3-ethyl-6-nitrophenolate
| Molecular Formula | C8H6Cl2NO3- |
|---|---|
| Molecular Weight | 233.97 g/mol |
| LogP | 2.5376 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97247 |
| Heavy Atoms | 14 |
| Complexity | 392.66306 |
Chemical Identifiers
| CAS Number | 99817-36-4 |
|---|---|
| SMILES | CCC1=C(C=C(C(=C1Cl)[O-])[N+](=O)[O-])Cl |
Product Overview
2,4-Dichloro-3-ethyl-6-nitrophenolate (CAS 99817-36-4), with molecular formula C8H6Cl2NO3- and molecular weight 233.97 g/mol. IUPAC: 2,4-dichloro-3-ethyl-6-nitrophenolate.
Chemical Property Profile of 2,4-Dichloro-3-ethyl-6-nitrophenolate
Property Insights of 2,4-Dichloro-3-ethyl-6-nitrophenolate
The XLogP value of 2.5376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-3-ethyl-6-nitrophenolate. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-3-ethyl-6-nitrophenolate. Following Lipinski's Rule of Five, 2,4-Dichloro-3-ethyl-6-nitrophenolate 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 2,4-Dichloro-3-ethyl-6-nitrophenolate?
The CAS number of 2,4-Dichloro-3-ethyl-6-nitrophenolate is 99817-36-4.
What is the molecular formula of 2,4-Dichloro-3-ethyl-6-nitrophenolate?
The molecular formula of 2,4-Dichloro-3-ethyl-6-nitrophenolate is C8H6Cl2NO3-.
What is the molecular weight of 2,4-Dichloro-3-ethyl-6-nitrophenolate?
The molecular weight of 2,4-Dichloro-3-ethyl-6-nitrophenolate is 233.97 g/mol.
Where can I buy 2,4-Dichloro-3-ethyl-6-nitrophenolate?
You can request a quote for 2,4-Dichloro-3-ethyl-6-nitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-3-ethyl-6-nitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-3-ethyl-6-nitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.