Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate
TL;DR: Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate (CAS 267651-82-1) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-3-oxoprop-1-enyl) 4-nitrobenzoate
Also Known As: methyl 3-(4-nitrobenzoyloxy)prop-2-enoate, 2-methoxycarbonylvinyl 4-nitrobenzoate, 3-methoxy-3-oxo-1-propenyl 4-nitrobenzenecarboxylate, (3-methoxy-3-oxoprop-1-enyl) 4-nitrobenzoate, 3-Methoxy-3-oxo-1-propenyl4-nitrobenzenecarboxylate
| Molecular Formula | C11H9NO6 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 1.4383 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.04298 |
| Heavy Atoms | 18 |
| Complexity | 490.75983 |
Chemical Identifiers
| CAS Number | 267651-82-1 |
|---|---|
| SMILES | COC(=O)C=COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate (CAS 267651-82-1), with molecular formula C11H9NO6 and molecular weight 251.04 g/mol. IUPAC: (3-methoxy-3-oxoprop-1-enyl) 4-nitrobenzoate.
Chemical Property Profile of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate
Property Insights of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate
The XLogP value of 1.4383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate 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 Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate?
The CAS number of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate is 267651-82-1.
What is the molecular formula of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate?
The molecular formula of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate is C11H9NO6.
What is the molecular weight of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate?
The molecular weight of Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate is 251.04 g/mol.
Where can I buy Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate?
You can request a quote for Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-nitrobenzoyloxy)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.