2-Methyl-5-phenyl-3-furyl isocyanate
TL;DR: 2-Methyl-5-phenyl-3-furyl isocyanate (CAS 568577-82-2) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanato-2-methyl-5-phenylfuran
Also Known As: 2-METHYL-5-PHENYL-3-FURYL ISOCYANATE, 3-isocyanato-2-methyl-5-phenylfuran, 3-isocyanato-2-methyl-5-phenyl-furan, 2-methyl-5-phenyl-3-furylisocyanate, 2-methyl-5-phenylfuran-3-isocyanate
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 3.22232 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 507.6733 |
Chemical Identifiers
| CAS Number | 568577-82-2 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC=CC=C2)N=C=O |
Product Overview
2-Methyl-5-phenyl-3-furyl isocyanate (CAS 568577-82-2), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 3-isocyanato-2-methyl-5-phenylfuran.
Chemical Property Profile of 2-Methyl-5-phenyl-3-furyl isocyanate
Property Insights of 2-Methyl-5-phenyl-3-furyl isocyanate
The XLogP value of 3.22232 indicates that 2-Methyl-5-phenyl-3-furyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.57 Ų, 2-Methyl-5-phenyl-3-furyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-phenyl-3-furyl isocyanate has 0 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 2-Methyl-5-phenyl-3-furyl isocyanate?
The CAS number of 2-Methyl-5-phenyl-3-furyl isocyanate is 568577-82-2.
What is the molecular formula of 2-Methyl-5-phenyl-3-furyl isocyanate?
The molecular formula of 2-Methyl-5-phenyl-3-furyl isocyanate is C12H9NO2.
What is the molecular weight of 2-Methyl-5-phenyl-3-furyl isocyanate?
The molecular weight of 2-Methyl-5-phenyl-3-furyl isocyanate is 199.06 g/mol.
Where can I buy 2-Methyl-5-phenyl-3-furyl isocyanate?
You can request a quote for 2-Methyl-5-phenyl-3-furyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-phenyl-3-furyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-phenyl-3-furyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.