![[5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate structure](/static/products/2146/21461-31-4.webp)
[5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate
TL;DR: [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate (CAS 21461-31-4) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-methoxyphenyl)-4-nitropent-4-enyl] acetate
Also Known As: [5-(4-methoxyphenyl)-4-nitropent-4-enyl] acetate|5-(4-methoxyphenyl)-4-nitropent-4-en-1-yl acetate|[(E)-5-(4-methoxyphenyl)-4-nitropent-4-enyl] acetate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 21461-31-4 |
|---|---|
| SMILES | CC(=O)OCCCC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | QGROGTYAKBROCC-UHFFFAOYSA-N |
Product Overview
[5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate (CAS 21461-31-4), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: [5-(4-methoxyphenyl)-4-nitropent-4-enyl] acetate.
Chemical Property Profile of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate
Property Insights of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate. Following Lipinski's Rule of Five, [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate has 0 hydrogen bond donor(s) and 5 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 [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate?
The CAS number of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate is 21461-31-4.
What is the molecular formula of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate?
The molecular formula of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate is C14H17NO5.
What is the molecular weight of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate?
The molecular weight of [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate is 279.11 g/mol.
Where can I buy [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate?
You can request a quote for [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-Methoxyphenyl)-4-nitropent-4-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.