2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate
TL;DR: 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate (CAS 7462-19-3) is a chemical compound with molecular formula C13H16ClNO5 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-nitropropyl) 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate, (2-methyl-2-nitropropyl) 2-(4-chloro-2-methylphenoxy)acetate
| Molecular Formula | C13H16ClNO5 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0717 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 7462-19-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(C)(C)[N+](=O)[O-] |
| InChIKey | MHHLTHOYSAOKGR-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate (CAS 7462-19-3), with molecular formula C13H16ClNO5 and molecular weight 301.07 g/mol. IUPAC: (2-methyl-2-nitropropyl) 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate
Property Insights of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate
The XLogP value of 3.2 indicates that 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)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 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate. Following Lipinski's Rule of Five, 2-Methyl-2-nitropropyl (4-chloro-2-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-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate?
The CAS number of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate is 7462-19-3.
What is the molecular formula of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate?
The molecular formula of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate is C13H16ClNO5.
What is the molecular weight of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate?
The molecular weight of 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate is 301.07 g/mol.
Where can I buy 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate?
You can request a quote for 2-Methyl-2-nitropropyl (4-chloro-2-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-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.