(2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate
TL;DR: (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate (CAS 27582-54-3) is a chemical compound with molecular formula C28H46N2O6 and molecular weight 506.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-yl-4,6-dinitrophenyl) octadecanoate
Also Known As: (2-butan-2-yl-4,6-dinitrophenyl) octadecanoate, 2-(butan-2-yl)-4,6-dinitrophenyl octadecanoate
| Molecular Formula | C28H46N2O6 |
|---|---|
| Molecular Weight | 506.34 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 506.3356 |
| Heavy Atoms | 36 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 27582-54-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)CC |
| InChIKey | XPISAGAWGZFJIV-UHFFFAOYSA-N |
Product Overview
(2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate (CAS 27582-54-3), with molecular formula C28H46N2O6 and molecular weight 506.34 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) octadecanoate.
Chemical Property Profile of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate
Property Insights of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate
The XLogP value of 11.4 indicates that (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate 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-Butan-2-yl-4,6-dinitrophenyl) octadecanoate. Following Lipinski's Rule of Five, (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate 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-Butan-2-yl-4,6-dinitrophenyl) octadecanoate?
The CAS number of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate is 27582-54-3.
What is the molecular formula of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate?
The molecular formula of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate is C28H46N2O6.
What is the molecular weight of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate?
The molecular weight of (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate is 506.34 g/mol.
Where can I buy (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate?
You can request a quote for (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Butan-2-yl-4,6-dinitrophenyl) octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.