2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate
TL;DR: 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate (CAS 2183-38-2) is a chemical compound with molecular formula C14H17ClN2O6 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) 2-chloro-2-ethyl-3-methylpentanoate
Also Known As: Thompson-hayward T-H 113-M, TH 113-M, ENT 27,215, 2-(1-Methylpropyl)-4,6-dinitrophenyl 2-chlorobutanoate, (2,4-dinitrophenyl) 2-chloro-2-ethyl-3-methylpentanoate
| Molecular Formula | C14H17ClN2O6 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.0775 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 2183-38-2 |
|---|---|
| SMILES | CCC(C)C(CC)(C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | ORVMNJUUJWSZDQ-UHFFFAOYSA-N |
Product Overview
2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate (CAS 2183-38-2), with molecular formula C14H17ClN2O6 and molecular weight 344.08 g/mol. IUPAC: (2,4-dinitrophenyl) 2-chloro-2-ethyl-3-methylpentanoate.
Chemical Property Profile of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate
Property Insights of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate
The XLogP value of 4.4 indicates that 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate has 0 hydrogen bond donor(s) and 6 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-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate?
The CAS number of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate is 2183-38-2.
What is the molecular formula of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate?
The molecular formula of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate is C14H17ClN2O6.
What is the molecular weight of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate?
The molecular weight of 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate is 344.08 g/mol.
Where can I buy 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate?
You can request a quote for 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.