1-Fluoro-4-isocyanato-2-methylbenzene
TL;DR: 1-Fluoro-4-isocyanato-2-methylbenzene (CAS 71294-03-6) is a chemical compound with molecular formula C8H6FNO and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-isocyanato-2-methylbenzene
Also Known As: 4-Fluoro-3-methylphenyl Isocyanate, 7-Fluorooxindole, 1-fluoro-4-isocyanato-2-methylbenzene, 6-fluoroindolin-2-one, 4-Fluoroindolin-2-one
| Molecular Formula | C8H6FNO |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 2.10142 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04333 |
| Heavy Atoms | 11 |
| Complexity | 315.86813 |
Chemical Identifiers
| CAS Number | 71294-03-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=C=O)F |
Product Overview
1-Fluoro-4-isocyanato-2-methylbenzene (CAS 71294-03-6), with molecular formula C8H6FNO and molecular weight 151.04 g/mol. IUPAC: 1-fluoro-4-isocyanato-2-methylbenzene.
Chemical Property Profile of 1-Fluoro-4-isocyanato-2-methylbenzene
Property Insights of 1-Fluoro-4-isocyanato-2-methylbenzene
The XLogP value of 2.10142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-isocyanato-2-methylbenzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Fluoro-4-isocyanato-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-isocyanato-2-methylbenzene 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 1-Fluoro-4-isocyanato-2-methylbenzene?
The CAS number of 1-Fluoro-4-isocyanato-2-methylbenzene is 71294-03-6.
What is the molecular formula of 1-Fluoro-4-isocyanato-2-methylbenzene?
The molecular formula of 1-Fluoro-4-isocyanato-2-methylbenzene is C8H6FNO.
What is the molecular weight of 1-Fluoro-4-isocyanato-2-methylbenzene?
The molecular weight of 1-Fluoro-4-isocyanato-2-methylbenzene is 151.04 g/mol.
Where can I buy 1-Fluoro-4-isocyanato-2-methylbenzene?
You can request a quote for 1-Fluoro-4-isocyanato-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-isocyanato-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-isocyanato-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.