1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-
TL;DR: 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- (CAS 66832-81-3) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]
Also Known As: Isonitrin A, 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-, 3'-Methylspiro-6-oxabicyclo-(3.1.0)hexa-3-en-2,2'-oxylan-4-ylisocyanide, 2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane], 4-Isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-3-ene-2,2'-oxirane]
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.72809 |
| Topological Polar Surface Area | 29.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 303.70413 |
Chemical Identifiers
| CAS Number | 66832-81-3 |
|---|---|
| SMILES | CC1C2(O1)C=C(C3C2O3)[N+]#[C-] |
Product Overview
1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- (CAS 66832-81-3), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane].
Chemical Property Profile of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-
Property Insights of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-
The XLogP value of 0.72809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-. With a topological polar surface area (TPSA) of 29.42 Ų, 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- has 0 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 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-?
The CAS number of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- is 66832-81-3.
What is the molecular formula of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-?
The molecular formula of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- is C8H7NO2.
What is the molecular weight of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-?
The molecular weight of 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- is 149.05 g/mol.
Where can I buy 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-?
You can request a quote for 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.