2-Nitrophenyl (4-methylphenoxy)acetate
TL;DR: 2-Nitrophenyl (4-methylphenoxy)acetate (CAS 118734-45-5) 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.
(2-nitrophenyl) 2-(4-methylphenoxy)acetate
Also Known As: 2-nitrophenyl (4-methylphenoxy)acetate, (2-nitrophenyl) 2-(4-methylphenoxy)acetate, 2-nitrophenyl 2-(4-methylphenoxy)acetate, AN-329/41306882
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.88762 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 651.36847 |
Chemical Identifiers
| CAS Number | 118734-45-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Nitrophenyl (4-methylphenoxy)acetate (CAS 118734-45-5), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: (2-nitrophenyl) 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 2-Nitrophenyl (4-methylphenoxy)acetate
Property Insights of 2-Nitrophenyl (4-methylphenoxy)acetate
The XLogP value of 2.88762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl (4-methylphenoxy)acetate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl (4-methylphenoxy)acetate. Following Lipinski's Rule of Five, 2-Nitrophenyl (4-methylphenoxy)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 2-Nitrophenyl (4-methylphenoxy)acetate?
The CAS number of 2-Nitrophenyl (4-methylphenoxy)acetate is 118734-45-5.
What is the molecular formula of 2-Nitrophenyl (4-methylphenoxy)acetate?
The molecular formula of 2-Nitrophenyl (4-methylphenoxy)acetate is C15H13NO5.
What is the molecular weight of 2-Nitrophenyl (4-methylphenoxy)acetate?
The molecular weight of 2-Nitrophenyl (4-methylphenoxy)acetate is 287.08 g/mol.
Where can I buy 2-Nitrophenyl (4-methylphenoxy)acetate?
You can request a quote for 2-Nitrophenyl (4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.