(4-Nitro-5-phenylpent-4-enyl) acetate
TL;DR: (4-Nitro-5-phenylpent-4-enyl) acetate (CAS 21461-28-9) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitro-5-phenylpent-4-enyl) acetate
Also Known As: (4-nitro-5-phenylpent-4-enyl) acetate, 4-nitro-5-phenylpent-4-en-1-yl acetate, [(E)-4-nitro-5-phenylpent-4-enyl] acetate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 21461-28-9 |
|---|---|
| SMILES | CC(=O)OCCCC(=CC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | VLJSJHMJSBHITE-UHFFFAOYSA-N |
Product Overview
(4-Nitro-5-phenylpent-4-enyl) acetate (CAS 21461-28-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: (4-nitro-5-phenylpent-4-enyl) acetate.
Chemical Property Profile of (4-Nitro-5-phenylpent-4-enyl) acetate
Property Insights of (4-Nitro-5-phenylpent-4-enyl) acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitro-5-phenylpent-4-enyl) acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitro-5-phenylpent-4-enyl) acetate. Following Lipinski's Rule of Five, (4-Nitro-5-phenylpent-4-enyl) 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-Nitro-5-phenylpent-4-enyl) acetate?
The CAS number of (4-Nitro-5-phenylpent-4-enyl) acetate is 21461-28-9.
What is the molecular formula of (4-Nitro-5-phenylpent-4-enyl) acetate?
The molecular formula of (4-Nitro-5-phenylpent-4-enyl) acetate is C13H15NO4.
What is the molecular weight of (4-Nitro-5-phenylpent-4-enyl) acetate?
The molecular weight of (4-Nitro-5-phenylpent-4-enyl) acetate is 249.10 g/mol.
Where can I buy (4-Nitro-5-phenylpent-4-enyl) acetate?
You can request a quote for (4-Nitro-5-phenylpent-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 (4-Nitro-5-phenylpent-4-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitro-5-phenylpent-4-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.