(3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate
TL;DR: (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate (CAS 112473-82-2) is a chemical compound with molecular formula C24H23NO5 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate
Also Known As: (3-phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate, Benzeneacetic acid, alpha-(1-methylethyl)-4-nitro-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C24H23NO5 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.15762 |
| Heavy Atoms | 30 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 112473-82-2 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | JTTWVUNZWKUFIF-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate (CAS 112473-82-2), with molecular formula C24H23NO5 and molecular weight 405.16 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate
Property Insights of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate
The XLogP value of 5.9 indicates that (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate?
The CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate is 112473-82-2.
What is the molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate is C24H23NO5.
What is the molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate is 405.16 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-nitrophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.