2-Isocyano-1-phenylethanol
TL;DR: 2-Isocyano-1-phenylethanol (CAS 409095-40-5) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1-phenylethanol
Also Known As: 2-isocyano-1-phenylethanol, 2-Isocyano-1-phenylethanole, 2-isocyano-1-phenyl-ethanol, 2-isocyano-1-phenylethan-1-ol
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.63929 |
| Topological Polar Surface Area | 24.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 250.01529 |
Chemical Identifiers
| CAS Number | 409095-40-5 |
|---|---|
| SMILES | [C-]#[N+]CC(C1=CC=CC=C1)O |
Product Overview
2-Isocyano-1-phenylethanol (CAS 409095-40-5), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-isocyano-1-phenylethanol.
Chemical Property Profile of 2-Isocyano-1-phenylethanol
Property Insights of 2-Isocyano-1-phenylethanol
The XLogP value of 1.63929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyano-1-phenylethanol. With a topological polar surface area (TPSA) of 24.59 Ų, 2-Isocyano-1-phenylethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyano-1-phenylethanol has 1 hydrogen bond donor(s) and 1 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 2-Isocyano-1-phenylethanol?
The CAS number of 2-Isocyano-1-phenylethanol is 409095-40-5.
What is the molecular formula of 2-Isocyano-1-phenylethanol?
The molecular formula of 2-Isocyano-1-phenylethanol is C9H9NO.
What is the molecular weight of 2-Isocyano-1-phenylethanol?
The molecular weight of 2-Isocyano-1-phenylethanol is 147.07 g/mol.
Where can I buy 2-Isocyano-1-phenylethanol?
You can request a quote for 2-Isocyano-1-phenylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyano-1-phenylethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyano-1-phenylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.