3-Isocyanato-5-methyl-2-(trifluoromethyl)furan
TL;DR: 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan (CAS 306935-03-5) is a chemical compound with molecular formula C7H4F3NO2 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanato-5-methyl-2-(trifluoromethyl)furan
Also Known As: 3-isocyanato-5-methyl-2-(trifluoromethyl)furan, 1,12-Dodecanedioicacid, 5-methyl-2-(trifluoromethyl)-3-furyl isocyanate, 5-Methyl-2-(trifluoromethyl)fur-3-yl isocyanate, 5-methyl-2-(trifluoromethyl)-3-furylisocyanate
| Molecular Formula | C7H4F3NO2 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 2.57412 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.01941 |
| Heavy Atoms | 13 |
| Complexity | 360.30484 |
Chemical Identifiers
| CAS Number | 306935-03-5 |
|---|---|
| SMILES | CC1=CC(=C(O1)C(F)(F)F)N=C=O |
Product Overview
3-Isocyanato-5-methyl-2-(trifluoromethyl)furan (CAS 306935-03-5), with molecular formula C7H4F3NO2 and molecular weight 191.02 g/mol. IUPAC: 3-isocyanato-5-methyl-2-(trifluoromethyl)furan.
Chemical Property Profile of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan
Property Insights of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan
The XLogP value of 2.57412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan. With a topological polar surface area (TPSA) of 42.57 Ų, 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan 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 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan?
The CAS number of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan is 306935-03-5.
What is the molecular formula of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan?
The molecular formula of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan is C7H4F3NO2.
What is the molecular weight of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan?
The molecular weight of 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan is 191.02 g/mol.
Where can I buy 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan?
You can request a quote for 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanato-5-methyl-2-(trifluoromethyl)furan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.