Isonitrin A
TL;DR: Isonitrin A (CAS 83016-48-2) 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.
(5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]
Also Known As: Isonitrin A, (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane], Spiro(6-oxabicyclo(3.1.0)hex-3-ene-2,2'-oxirane), 4-isocyano-3'-methyl-, (1-alpha,2-beta(S*),(5-alpha)-(+)-, RefChem:149590
| 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 | 83016-48-2 |
|---|---|
| SMILES | CC1C2(O1)C=C(C3[C@H]2O3)[N+]#[C-] |
Product Overview
Isonitrin A (CAS 83016-48-2), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane].
Chemical Property Profile of Isonitrin A
Property Insights of Isonitrin A
The XLogP value of 0.72809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonitrin A. With a topological polar surface area (TPSA) of 29.42 Ų, Isonitrin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonitrin A 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 Isonitrin A?
The CAS number of Isonitrin A is 83016-48-2.
What is the molecular formula of Isonitrin A?
The molecular formula of Isonitrin A is C8H7NO2.
What is the molecular weight of Isonitrin A?
The molecular weight of Isonitrin A is 149.05 g/mol.
Where can I buy Isonitrin A?
You can request a quote for Isonitrin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonitrin A?
Yes, KEHONG BIO provides custom synthesis services for Isonitrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.