2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate
TL;DR: 2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate (CAS 19000-58-9) is a chemical compound with molecular formula C16H22N2O7 and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate
(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate
Also Known As: 2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate, (2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate, 2,4-dinitro-6-(octan-4-yl)phenyl methyl carbonate, (2,4-dinitro-6-octan-4-yl-phenyl) Methyl Carbonate
| Molecular Formula | C16H22N2O7 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.1427 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 19000-58-9 |
|---|---|
| SMILES | CCCCC(CCC)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC |
| InChIKey | SGHGVNUIRIVCGN-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate (CAS 19000-58-9), with molecular formula C16H22N2O7 and molecular weight 354.14 g/mol. IUPAC: (2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate.
Chemical Property Profile of 2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate
Property Insights of 2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate
The XLogP value of 5.6 indicates that 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-6-(4-octanyl)phenyl methyl carbonate. Following Lipinski's Rule of Five, 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯?
The CAS number of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 is 19000-58-9.
What is the molecular formula of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯?
The molecular formula of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 is C16H22N2O7.
What is the molecular weight of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯?
The molecular weight of 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 is 354.14 g/mol.
Where can I buy 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯?
You can request a quote for 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二硝基-6-(4-辛基)苯基碳酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.