3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid
TL;DR: 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid (CAS 87364-84-9) is a chemical compound with molecular formula C12H13NO7 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoic acid
Also Known As: 3-(3,4-DIMETHOXY-6-NITROBENZOYL)PROPIONIC ACID, 2-(4,5-dimethoxy-2-nitrobenzoyl)propionic acid, 4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoic acid, 4-(4,5-dimethoxy-2-nitro-phenyl)-4-oxo-butanoic Acid, 668-156-8
| Molecular Formula | C12H13NO7 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 1.6595 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.0692 |
| Heavy Atoms | 20 |
| Complexity | 552.982 |
Chemical Identifiers
| CAS Number | 87364-84-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)CCC(=O)O)[N+](=O)[O-])OC |
Product Overview
3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid (CAS 87364-84-9), with molecular formula C12H13NO7 and molecular weight 283.07 g/mol. IUPAC: 4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid
Property Insights of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid
The XLogP value of 1.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid has 1 hydrogen bond donor(s) and 6 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-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid?
The CAS number of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid is 87364-84-9.
What is the molecular formula of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid?
The molecular formula of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid is C12H13NO7.
What is the molecular weight of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid?
The molecular weight of 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid is 283.07 g/mol.
Where can I buy 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid?
You can request a quote for 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxy-6-nitrobenzoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.