But-2-enyl 4-nitrobenzoate
TL;DR: But-2-enyl 4-nitrobenzoate (CAS 60626-96-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enyl 4-nitrobenzoate
Also Known As: but-2-en-1-ol,4-nitrobenzoic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 60626-96-2 |
|---|---|
| SMILES | CC=CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IFYMPHLEENWYIT-UHFFFAOYSA-N |
Product Overview
But-2-enyl 4-nitrobenzoate (CAS 60626-96-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: but-2-enyl 4-nitrobenzoate.
Chemical Property Profile of But-2-enyl 4-nitrobenzoate
Property Insights of But-2-enyl 4-nitrobenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enyl 4-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enyl 4-nitrobenzoate. Following Lipinski's Rule of Five, But-2-enyl 4-nitrobenzoate 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 But-2-enyl 4-nitrobenzoate?
The CAS number of But-2-enyl 4-nitrobenzoate is 60626-96-2.
What is the molecular formula of But-2-enyl 4-nitrobenzoate?
The molecular formula of But-2-enyl 4-nitrobenzoate is C11H11NO4.
What is the molecular weight of But-2-enyl 4-nitrobenzoate?
The molecular weight of But-2-enyl 4-nitrobenzoate is 221.07 g/mol.
Where can I buy But-2-enyl 4-nitrobenzoate?
You can request a quote for But-2-enyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for But-2-enyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.