Phenyl 4,5-dimethoxy-2-nitrobenzoate
TL;DR: Phenyl 4,5-dimethoxy-2-nitrobenzoate (CAS 100905-32-6) is a chemical compound with molecular formula C15H13NO6 and molecular weight 303.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 4,5-dimethoxy-2-nitrobenzoate
Also Known As: phenyl 4,5-dimethoxy-2-nitrobenzoate, Phenyl4,5-dimethoxy-2-nitrobenzoate, phenyl 2-nitro-4,5-dimethoxybenzoate, 4,5-Dimethoxy-2-nitrobenzoic acid phenyl ester, Benzoic acid, 4,5-dimethoxy-2-nitro-, phenyl ester
Technical Specifications
| Molecular Formula | C15H13NO6 |
| Molecular Weight | 303.07428 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.07428 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-])OC |
| InChIKey | TZYWYUNYWPSVFQ-UHFFFAOYSA-N |
Chemical Property Profile of Phenyl 4,5-dimethoxy-2-nitrobenzoate
Property Insights of Phenyl 4,5-dimethoxy-2-nitrobenzoate
The XLogP value of 3.1 indicates that Phenyl 4,5-dimethoxy-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 4,5-dimethoxy-2-nitrobenzoate. Following Lipinski's Rule of Five, Phenyl 4,5-dimethoxy-2-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenyl 4,5-dimethoxy-2-nitrobenzoate?
The CAS number of Phenyl 4,5-dimethoxy-2-nitrobenzoate is 100905-32-6.
What is the molecular formula of Phenyl 4,5-dimethoxy-2-nitrobenzoate?
The molecular formula of Phenyl 4,5-dimethoxy-2-nitrobenzoate is C15H13NO6.
What is the molecular weight of Phenyl 4,5-dimethoxy-2-nitrobenzoate?
The molecular weight of Phenyl 4,5-dimethoxy-2-nitrobenzoate is 303.07428 g/mol.
Where can I buy Phenyl 4,5-dimethoxy-2-nitrobenzoate?
You can request a quote for Phenyl 4,5-dimethoxy-2-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl 4,5-dimethoxy-2-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Phenyl 4,5-dimethoxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.