3-Methylphenyl (4-nitrophenoxy)acetate
TL;DR: 3-Methylphenyl (4-nitrophenoxy)acetate (CAS 433308-17-9) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-(4-nitrophenoxy)acetate
Also Known As: 3-methylphenyl (4-nitrophenoxy)acetate, m-tolyl 2-(4-nitrophenoxy)acetate, (3-methylphenyl) 2-(4-nitrophenoxy)acetate, 3-methylphenyl {4-nitrophenoxy}acetate, 3-methylphenyl 2-(4-nitrophenoxy)acetate
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 433308-17-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AQSPRSJZUSKDPQ-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl (4-nitrophenoxy)acetate (CAS 433308-17-9), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: (3-methylphenyl) 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of 3-Methylphenyl (4-nitrophenoxy)acetate
Property Insights of 3-Methylphenyl (4-nitrophenoxy)acetate
The XLogP value of 3.5 indicates that 3-Methylphenyl (4-nitrophenoxy)acetate 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-Methylphenyl (4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, 3-Methylphenyl (4-nitrophenoxy)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methylphenyl (4-nitrophenoxy)acetate?
The CAS number of 3-Methylphenyl (4-nitrophenoxy)acetate is 433308-17-9.
What is the molecular formula of 3-Methylphenyl (4-nitrophenoxy)acetate?
The molecular formula of 3-Methylphenyl (4-nitrophenoxy)acetate is C15H13NO5.
What is the molecular weight of 3-Methylphenyl (4-nitrophenoxy)acetate?
The molecular weight of 3-Methylphenyl (4-nitrophenoxy)acetate is 287.08 g/mol.
Where can I buy 3-Methylphenyl (4-nitrophenoxy)acetate?
You can request a quote for 3-Methylphenyl (4-nitrophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl (4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl (4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.