![3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid structure](/static/products/830/83016-51-7.png)
3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
TL;DR: 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid (CAS 83016-51-7) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
Also Known As: (1H-imidazol-2-yl)-hydrazine, 2-Propenoic acid,3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)-, (+)-
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.97169 |
| Topological Polar Surface Area | 54.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 363.54633 |
Chemical Identifiers
| CAS Number | 83016-51-7 |
|---|---|
| SMILES | [C-]#[N+]C1=CCC2(C1O2)C=CC(=O)O |
Product Overview
3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid (CAS 83016-51-7), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
Property Insights of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
The XLogP value of 0.97169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 54.19 Ų, 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid?
The CAS number of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid is 83016-51-7.
What is the molecular formula of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid?
The molecular formula of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid is C9H7NO3.
What is the molecular weight of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid?
The molecular weight of 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid is 177.04 g/mol.
Where can I buy 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid?
You can request a quote for 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.