2,5-Difluoro-4-methoxybenzonitrile
TL;DR: 2,5-Difluoro-4-methoxybenzonitrile (CAS 100761-09-9) is a chemical compound with molecular formula C8H5F2NO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-difluoro-4-methoxybenzonitrile
Also Known As: 2,5-difluoro-4-methoxybenzonitrile, Benzonitrile, 2,5-difluoro-4-methoxy-, 4-Cyano-2,5-difluoroanisole, 2,5-difluoro-4-methoxy-benzonitrile, 2,5-Difluoro-4-methoxy benzonitrile
| Molecular Formula | C8H5F2NO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 1.84508 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.03392 |
| Heavy Atoms | 12 |
| Complexity | 342.89648 |
Chemical Identifiers
| CAS Number | 100761-09-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)F)C#N)F |
Product Overview
2,5-Difluoro-4-methoxybenzonitrile (CAS 100761-09-9), with molecular formula C8H5F2NO and molecular weight 169.03 g/mol. IUPAC: 2,5-difluoro-4-methoxybenzonitrile.
Chemical Property Profile of 2,5-Difluoro-4-methoxybenzonitrile
Property Insights of 2,5-Difluoro-4-methoxybenzonitrile
The XLogP value of 1.84508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Difluoro-4-methoxybenzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2,5-Difluoro-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Difluoro-4-methoxybenzonitrile 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 2,5-Difluoro-4-methoxybenzonitrile?
The CAS number of 2,5-Difluoro-4-methoxybenzonitrile is 100761-09-9.
What is the molecular formula of 2,5-Difluoro-4-methoxybenzonitrile?
The molecular formula of 2,5-Difluoro-4-methoxybenzonitrile is C8H5F2NO.
What is the molecular weight of 2,5-Difluoro-4-methoxybenzonitrile?
The molecular weight of 2,5-Difluoro-4-methoxybenzonitrile is 169.03 g/mol.
Where can I buy 2,5-Difluoro-4-methoxybenzonitrile?
You can request a quote for 2,5-Difluoro-4-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Difluoro-4-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Difluoro-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.