2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate
TL;DR: 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate (CAS 2411-01-0) is a chemical compound with molecular formula C18H25ClN2O6 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate
Also Known As: Thompson-hayward T-H 093-F, ENT 27,327-X, (2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate, 2,4-DINITRO-6-(OCTAN-2-YL)PHENYL 2-CHLOROBUTANOATE, BUTYRIC ACID, 2-CHLORO-, 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL ESTER
| Molecular Formula | C18H25ClN2O6 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.1401 |
| Heavy Atoms | 27 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 2411-01-0 |
|---|---|
| SMILES | CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(CC)Cl |
| InChIKey | FQHWVRPELKNIHV-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate (CAS 2411-01-0), with molecular formula C18H25ClN2O6 and molecular weight 400.14 g/mol. IUPAC: (2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate.
Chemical Property Profile of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate
Property Insights of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate
The XLogP value of 6.7 indicates that 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate 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-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate. Following Lipinski's Rule of Five, 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate has 0 hydrogen bond donor(s) and 6 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-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate?
The CAS number of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate is 2411-01-0.
What is the molecular formula of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate?
The molecular formula of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate is C18H25ClN2O6.
What is the molecular weight of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate?
The molecular weight of 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate is 400.14 g/mol.
Where can I buy 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate?
You can request a quote for 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.