(2-Methyl-4,6-dinitrophenoxy)acetic acid
TL;DR: (2-Methyl-4,6-dinitrophenoxy)acetic acid (CAS 99459-56-0) is a chemical compound with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4,6-dinitrophenoxy)acetic acid
Also Known As: (2-methyl-4,6-dinitrophenoxy)acetic acid, 2-(2-methyl-4,6-dinitrophenoxy)acetic acid, (2-methyl-4,6-dinitrophenoxy)aceticacid, acetic acid, (2-methyl-4,6-dinitrophenoxy)-, 2-(6-methyl-2,4-dinitrophenoxy)acetic acid
| Molecular Formula | C9H8N2O7 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.03314 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 99459-56-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VCXFZNLPLWKKFI-UHFFFAOYSA-N |
Product Overview
(2-Methyl-4,6-dinitrophenoxy)acetic acid (CAS 99459-56-0), with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol. IUPAC: 2-(2-methyl-4,6-dinitrophenoxy)acetic acid.
Chemical Property Profile of (2-Methyl-4,6-dinitrophenoxy)acetic acid
Property Insights of (2-Methyl-4,6-dinitrophenoxy)acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-4,6-dinitrophenoxy)acetic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-4,6-dinitrophenoxy)acetic acid. Following Lipinski's Rule of Five, (2-Methyl-4,6-dinitrophenoxy)acetic acid has 1 hydrogen bond donor(s) and 7 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-4,6-dinitrophenoxy)acetic acid?
The CAS number of (2-Methyl-4,6-dinitrophenoxy)acetic acid is 99459-56-0.
What is the molecular formula of (2-Methyl-4,6-dinitrophenoxy)acetic acid?
The molecular formula of (2-Methyl-4,6-dinitrophenoxy)acetic acid is C9H8N2O7.
What is the molecular weight of (2-Methyl-4,6-dinitrophenoxy)acetic acid?
The molecular weight of (2-Methyl-4,6-dinitrophenoxy)acetic acid is 256.03 g/mol.
Where can I buy (2-Methyl-4,6-dinitrophenoxy)acetic acid?
You can request a quote for (2-Methyl-4,6-dinitrophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-4,6-dinitrophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-4,6-dinitrophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.