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 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C15H13NO6 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.8312 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.07428 |
| Heavy Atoms | 22 |
| Complexity | 698.6789 |
Chemical Identifiers
| CAS Number | 100905-32-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-])OC |
Product Overview
Phenyl 4,5-dimethoxy-2-nitrobenzoate (CAS 100905-32-6), with molecular formula C15H13NO6 and molecular weight 303.07 g/mol. IUPAC: phenyl 4,5-dimethoxy-2-nitrobenzoate.
Chemical Property Profile of Phenyl 4,5-dimethoxy-2-nitrobenzoate
Property Insights of Phenyl 4,5-dimethoxy-2-nitrobenzoate
The XLogP value of 2.8312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 4,5-dimethoxy-2-nitrobenzoate. The TPSA of 87.9 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
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 303.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4,5-dimethoxy-2-nitrobenzoate?
Yes, KEHONG BIO 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.