But-3-enyl 2-nitrooxyacetate
TL;DR: But-3-enyl 2-nitrooxyacetate (CAS 123208-67-3) is a chemical compound with molecular formula C6H9NO5 and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enyl 2-nitrooxyacetate
Also Known As: 3-butenyl (nitrooxy)acetate, but-3-enyl 2-nitrooxyacetate, but-3-en-1-yl (nitrooxy)acetate, NCI60_007628, 3-Butenyl ((hydroxy(oxido)amino)oxy)acetate
| Molecular Formula | C6H9NO5 |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.04807 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 123208-67-3 |
|---|---|
| SMILES | C=CCCOC(=O)CO[N+](=O)[O-] |
| InChIKey | NGAXGTBMBGXHST-UHFFFAOYSA-N |
Product Overview
But-3-enyl 2-nitrooxyacetate (CAS 123208-67-3), with molecular formula C6H9NO5 and molecular weight 175.05 g/mol. IUPAC: but-3-enyl 2-nitrooxyacetate.
Chemical Property Profile of But-3-enyl 2-nitrooxyacetate
Property Insights of But-3-enyl 2-nitrooxyacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-3-enyl 2-nitrooxyacetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for But-3-enyl 2-nitrooxyacetate. Following Lipinski's Rule of Five, But-3-enyl 2-nitrooxyacetate 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 But-3-enyl 2-nitrooxyacetate?
The CAS number of But-3-enyl 2-nitrooxyacetate is 123208-67-3.
What is the molecular formula of But-3-enyl 2-nitrooxyacetate?
The molecular formula of But-3-enyl 2-nitrooxyacetate is C6H9NO5.
What is the molecular weight of But-3-enyl 2-nitrooxyacetate?
The molecular weight of But-3-enyl 2-nitrooxyacetate is 175.05 g/mol.
Where can I buy But-3-enyl 2-nitrooxyacetate?
You can request a quote for But-3-enyl 2-nitrooxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-3-enyl 2-nitrooxyacetate?
Yes, KEHONG BIO provides custom synthesis services for But-3-enyl 2-nitrooxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.