3-Methoxy-5-methyl-4-nitrophthalic acid
TL;DR: 3-Methoxy-5-methyl-4-nitrophthalic acid (CAS 89586-39-0) is a chemical compound with molecular formula C10H9NO7 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-methyl-4-nitrophthalic acid
Also Known As: 3-Methoxy-5-methyl-4-nitrophthalic acid, 1,2-Benzenedicarboxylic acid, 3-methoxy-5-methyl-4-nitro-, 3-METHOXY-5-METHYL-4-NITROBENZENE-1,2-DICARBOXYLIC ACID, RefChem:280435
| Molecular Formula | C10H9NO7 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.0379 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 89586-39-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1[N+](=O)[O-])OC)C(=O)O)C(=O)O |
| InChIKey | BIMASAXZPRPNLW-UHFFFAOYSA-N |
Product Overview
3-Methoxy-5-methyl-4-nitrophthalic acid (CAS 89586-39-0), with molecular formula C10H9NO7 and molecular weight 255.04 g/mol. IUPAC: 3-methoxy-5-methyl-4-nitrophthalic acid.
Chemical Property Profile of 3-Methoxy-5-methyl-4-nitrophthalic acid
Property Insights of 3-Methoxy-5-methyl-4-nitrophthalic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-methyl-4-nitrophthalic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-5-methyl-4-nitrophthalic acid. Following Lipinski's Rule of Five, 3-Methoxy-5-methyl-4-nitrophthalic acid has 2 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 3-Methoxy-5-methyl-4-nitrophthalic acid?
The CAS number of 3-Methoxy-5-methyl-4-nitrophthalic acid is 89586-39-0.
What is the molecular formula of 3-Methoxy-5-methyl-4-nitrophthalic acid?
The molecular formula of 3-Methoxy-5-methyl-4-nitrophthalic acid is C10H9NO7.
What is the molecular weight of 3-Methoxy-5-methyl-4-nitrophthalic acid?
The molecular weight of 3-Methoxy-5-methyl-4-nitrophthalic acid is 255.04 g/mol.
Where can I buy 3-Methoxy-5-methyl-4-nitrophthalic acid?
You can request a quote for 3-Methoxy-5-methyl-4-nitrophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5-methyl-4-nitrophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5-methyl-4-nitrophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.