Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-
TL;DR: Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- (CAS 91407-49-7) is a chemical compound with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-4,5-dimethoxyphenyl)acetonitrile
Also Known As: 4,5-Dimethoxy-2-fluorophenylacetonitrile, Benzeneacetonitrile, 2-fluoro-4,5-dimethoxy-, (2-Fluoro-4,5-dimethoxyphenyl)acetonitrile, Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-, (2-Fluoro-4,5-dimethoxyphenyl)acetonitrile #
| Molecular Formula | C10H10FNO2 |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.06955 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 91407-49-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC#N)F)OC |
| InChIKey | IUWHWJPHAIAEHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- (CAS 91407-49-7), with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol. IUPAC: 2-(2-fluoro-4,5-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-
Property Insights of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-. With a topological polar surface area (TPSA) of 42.3 Ų, Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- has 0 hydrogen bond donor(s) and 4 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 Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-?
The CAS number of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- is 91407-49-7.
What is the molecular formula of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-?
The molecular formula of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- is C10H10FNO2.
What is the molecular weight of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-?
The molecular weight of Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- is 195.07 g/mol.
Where can I buy Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-?
You can request a quote for Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethylbenzene, 2-fluoro-4,5-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.