4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate
TL;DR: 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate (CAS 21461-30-3) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-methylphenyl)-4-nitropent-4-enyl] acetate
Also Known As: [5-(4-methylphenyl)-4-nitropent-4-enyl] acetate|5-(4-methylphenyl)-4-nitropent-4-en-1-yl acetate|[(E)-5-(4-methylphenyl)-4-nitropent-4-enyl] acetate|4-PENTEN-1-OL,5-(4-METHYLPHENYL)-4-NITRO-, 1-ACETATE
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 21461-30-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C(CCCOC(=O)C)[N+](=O)[O-] |
| InChIKey | QROHIYZQNXZLRC-UHFFFAOYSA-N |
Product Overview
4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate (CAS 21461-30-3), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: [5-(4-methylphenyl)-4-nitropent-4-enyl] acetate.
Chemical Property Profile of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate
Property Insights of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate
The XLogP value of 3.1 indicates that 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate. Following Lipinski's Rule of Five, 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate has 0 hydrogen bond donor(s) and 4 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 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate?
The CAS number of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate is 21461-30-3.
What is the molecular formula of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate?
The molecular formula of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate is C14H17NO4.
What is the molecular weight of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate?
The molecular weight of 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate is 263.12 g/mol.
Where can I buy 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate?
You can request a quote for 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-1-OL,5-(4-methylphenyl)-4-nitro-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.