2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene
TL;DR: 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene (CAS 1041969-63-4) is a chemical compound with molecular formula C10H10FNO and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-(1-isocyanoethyl)-1-methoxybenzene
Also Known As: 2-fluoro-4-(1-isocyanoethyl)-1-methoxybenzene, 2-fluoro-4-(1-isocyanoethyl)-1-methoxy-benzene
| Molecular Formula | C10H10FNO |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 2.81459 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.07465 |
| Heavy Atoms | 13 |
| Complexity | 343.26825 |
Chemical Identifiers
| CAS Number | 1041969-63-4 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)OC)F)[N+]#[C-] |
Product Overview
2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene (CAS 1041969-63-4), with molecular formula C10H10FNO and molecular weight 179.07 g/mol. IUPAC: 2-fluoro-4-(1-isocyanoethyl)-1-methoxybenzene.
Chemical Property Profile of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene
Property Insights of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene
The XLogP value of 2.81459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene. With a topological polar surface area (TPSA) of 13.59 Ų, 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene has 0 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-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene?
The CAS number of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene is 1041969-63-4.
What is the molecular formula of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene?
The molecular formula of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene is C10H10FNO.
What is the molecular weight of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene?
The molecular weight of 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene is 179.07 g/mol.
Where can I buy 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene?
You can request a quote for 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(1-isocyanoethyl)-1-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.