Isonitrin B
TL;DR: Isonitrin B (CAS 83058-95-1) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5R)-2-[(1R)-1-hydroxyethyl]-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol
Also Known As: Isonitrin B, 6-Oxabicyclo(3.1.0)hex-3-ene-2-methanol, 2-hydroxy-4-isocyano-alpha-methyl-, (1-alpha,2-beta,2(R*),5-alpha)-(-)-, (1R,2R,5R)-2-[(1R)-1-hydroxyethyl]-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol, 2-(1-Hydroxyethyl)-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol, (1R,4R,5R)-4-[(1R)-1-hydroxyethyl]-2-isocyano-6-oxabicyclo[3.1.0]hex-2-en-4-ol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | -0.31751 |
| Topological Polar Surface Area | 57.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 291.16833 |
Chemical Identifiers
| CAS Number | 83058-95-1 |
|---|---|
| SMILES | C[C@H]([C@@]1(C=C([C@@H]2[C@H]1O2)[N+]#[C-])O)O |
Product Overview
Isonitrin B (CAS 83058-95-1), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (1R,2R,5R)-2-[(1R)-1-hydroxyethyl]-4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-2-ol.
Chemical Property Profile of Isonitrin B
Property Insights of Isonitrin B
The XLogP value of -0.31751 indicates that Isonitrin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.35 Ų, Isonitrin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonitrin B has 2 hydrogen bond donor(s) and 3 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 B?
The CAS number of Isonitrin B is 83058-95-1.
What is the molecular formula of Isonitrin B?
The molecular formula of Isonitrin B is C8H9NO3.
What is the molecular weight of Isonitrin B?
The molecular weight of Isonitrin B is 167.06 g/mol.
Where can I buy Isonitrin B?
You can request a quote for Isonitrin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonitrin B?
Yes, KEHONG BIO provides custom synthesis services for Isonitrin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.