6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate
TL;DR: 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate (CAS 17317-16-7) is a chemical compound with molecular formula C13H15ClN2O6 and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-tert-butyl-3-methyl-2,4-dinitrophenyl) 2-chloroacetate
Also Known As: Phenol, 6-tert-butyl-2,4-dinitro-3-methyl-, chloroacetate, 6-tert-Butyl-2,4-dinitro-3-methylphenyl chloroacetate, (6-tert-butyl-3-methyl-2,4-dinitrophenyl) 2-chloroacetate, Phenol,4-dinitro-3-methyl-, chloroacetate, 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate
| Molecular Formula | C13H15ClN2O6 |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.06186 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 17317-16-7 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)CCl)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | JRKZLGWGNZPRNC-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate (CAS 17317-16-7), with molecular formula C13H15ClN2O6 and molecular weight 330.06 g/mol. IUPAC: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) 2-chloroacetate.
Chemical Property Profile of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate
Property Insights of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate
The XLogP value of 4.0 indicates that 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate 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 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate. Following Lipinski's Rule of Five, 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate 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 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate?
The CAS number of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate is 17317-16-7.
What is the molecular formula of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate?
The molecular formula of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate is C13H15ClN2O6.
What is the molecular weight of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate?
The molecular weight of 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate is 330.06 g/mol.
Where can I buy 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate?
You can request a quote for 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,4-dinitro-3-methylphenol chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.