2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
TL;DR: 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate (CAS 58263-53-9) is a chemical compound with molecular formula C11H11ClN2O6 and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
Also Known As: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate, Isobutyl 4-chloro-3,5-dinitrobenzoate, Isobutyl 3,5-dinitro-4-chlorobenzoate, isobutyl-3,5-dinitro-4-chlorobenzoate, Isobutyl4-chloro-3,5-dinitrobenzoate
| Molecular Formula | C11H11ClN2O6 |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 2.9692 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.03058 |
| Heavy Atoms | 20 |
| Complexity | 537.0269 |
Chemical Identifiers
| CAS Number | 58263-53-9 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
2-Methylpropyl 4-chloro-3,5-dinitrobenzoate (CAS 58263-53-9), with molecular formula C11H11ClN2O6 and molecular weight 302.03 g/mol. IUPAC: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate.
Chemical Property Profile of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
Property Insights of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
The XLogP value of 2.9692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate 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-Methylpropyl 4-chloro-3,5-dinitrobenzoate?
The CAS number of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate is 58263-53-9.
What is the molecular formula of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate?
The molecular formula of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate is C11H11ClN2O6.
What is the molecular weight of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate?
The molecular weight of 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate is 302.03 g/mol.
Where can I buy 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate?
You can request a quote for 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.