3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate
TL;DR: 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate (CAS 114430-16-9) is a chemical compound with molecular formula C15H19NO5 and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-(3-butoxyphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate, 3-(3-butoxyphenyl)-2-nitroprop-2-en-1-yl acetate, [(Z)-3-(3-butoxyphenyl)-2-nitro-prop-2-enyl] Acetate, [(Z)-3-(3-butoxyphenyl)-2-nitroprop-2-enyl] acetate, Acetic acid 2-nitro-3-[3-butoxyphenyl]-2-propenyl ester
| Molecular Formula | C15H19NO5 |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 3.0462 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.1263 |
| Heavy Atoms | 21 |
| Complexity | 524.5502 |
Chemical Identifiers
| CAS Number | 114430-16-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)/C=C(/COC(=O)C)\[N+](=O)[O-] |
Product Overview
3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate (CAS 114430-16-9), with molecular formula C15H19NO5 and molecular weight 293.13 g/mol. IUPAC: [(Z)-3-(3-butoxyphenyl)-2-nitroprop-2-enyl] acetate.
Chemical Property Profile of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate
Property Insights of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate
The XLogP value of 3.0462 indicates that 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate. Following Lipinski's Rule of Five, 3-(3-Butoxyphenyl)-2-nitroprop-2-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 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate?
The CAS number of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate is 114430-16-9.
What is the molecular formula of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate?
The molecular formula of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate is C15H19NO5.
What is the molecular weight of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate?
The molecular weight of 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate is 293.13 g/mol.
Where can I buy 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate?
You can request a quote for 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Butoxyphenyl)-2-nitroprop-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.