![Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate structure](/static/products/3260/326006-79-5.webp)
Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate
TL;DR: Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate (CAS 326006-79-5) is a chemical compound with molecular formula C17H12N2O8 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3,5-dinitrobenzoate
Also Known As: Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate, [2-(2-methoxycarbonylethenyl)phenyl] 3,5-dinitrobenzoate, [2-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3,5-dinitrobenzoate, 2-(3-METHOXY-3-OXOPROP-1-EN-1-YL)PHENYL 3,5-DINITROBENZOATE
| Molecular Formula | C17H12N2O8 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 2.9084 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.05936 |
| Heavy Atoms | 27 |
| Complexity | 919.44965 |
Chemical Identifiers
| CAS Number | 326006-79-5 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=CC=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate (CAS 326006-79-5), with molecular formula C17H12N2O8 and molecular weight 372.06 g/mol. IUPAC: [2-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3,5-dinitrobenzoate.
Chemical Property Profile of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate
Property Insights of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate
The XLogP value of 2.9084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate. Following Lipinski's Rule of Five, Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate has 0 hydrogen bond donor(s) and 8 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 Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate?
The CAS number of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate is 326006-79-5.
What is the molecular formula of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate?
The molecular formula of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate is C17H12N2O8.
What is the molecular weight of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate?
The molecular weight of Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate is 372.06 g/mol.
Where can I buy Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate?
You can request a quote for Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-[(3,5-dinitrobenzoyl)oxy]phenyl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.