methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate
TL;DR: methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate (CAS 104098-20-6) is a chemical compound with molecular formula C26H33NO7 and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]phenyl]-3-oxopropanoate
Also Known As: methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate, methyl 3-(3-nitro-4-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}phenyl)-3-oxopropanoate, methyl 3-(3-nitro-4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}phenyl)-3-oxopropanoate, methyl 3-[3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]phenyl]-3-oxopropanoate
| Molecular Formula | C26H33NO7 |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.2257 |
| Heavy Atoms | 34 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 104098-20-6 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)CC(=O)OC)[N+](=O)[O-] |
| InChIKey | SWEUYCWSPFAZRX-UHFFFAOYSA-N |
Product Overview
methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate (CAS 104098-20-6), with molecular formula C26H33NO7 and molecular weight 471.23 g/mol. IUPAC: methyl 3-[3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]phenyl]-3-oxopropanoate.
Chemical Property Profile of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate
Property Insights of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate
The XLogP value of 6.5 indicates that methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate. Following Lipinski's Rule of Five, methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate 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 methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate?
The CAS number of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate is 104098-20-6.
What is the molecular formula of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate?
The molecular formula of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate is C26H33NO7.
What is the molecular weight of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate?
The molecular weight of methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate is 471.23 g/mol.
Where can I buy methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate?
You can request a quote for methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-nitro-4-(2-(4-tert-octylphenoxy)ethoxy)benzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.