2,4-Difluoro-1-isocyanobenzene
TL;DR: 2,4-Difluoro-1-isocyanobenzene (CAS 428818-83-1) is a chemical compound with molecular formula C7H3F2N and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-difluoro-1-isocyanobenzene
Also Known As: 2,4-difluoro-1-isocyanobenzene, 2,4-Difluorophenyl isocyanide, 2,4-Difluorophenylisocyanide, Benzene,2,4-difluoro-1-isocyano-, 2,4-difluoro-1-isocyano-benzene
| Molecular Formula | C7H3F2N |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 2.51559 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02336 |
| Heavy Atoms | 10 |
| Complexity | 288.14786 |
Chemical Identifiers
| CAS Number | 428818-83-1 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=C(C=C1)F)F |
Product Overview
2,4-Difluoro-1-isocyanobenzene (CAS 428818-83-1), with molecular formula C7H3F2N and molecular weight 139.02 g/mol. IUPAC: 2,4-difluoro-1-isocyanobenzene.
Chemical Property Profile of 2,4-Difluoro-1-isocyanobenzene
Property Insights of 2,4-Difluoro-1-isocyanobenzene
The XLogP value of 2.51559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluoro-1-isocyanobenzene. With a topological polar surface area (TPSA) of 4.36 Ų, 2,4-Difluoro-1-isocyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluoro-1-isocyanobenzene has 0 hydrogen bond donor(s) and 0 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 2,4-Difluoro-1-isocyanobenzene?
The CAS number of 2,4-Difluoro-1-isocyanobenzene is 428818-83-1.
What is the molecular formula of 2,4-Difluoro-1-isocyanobenzene?
The molecular formula of 2,4-Difluoro-1-isocyanobenzene is C7H3F2N.
What is the molecular weight of 2,4-Difluoro-1-isocyanobenzene?
The molecular weight of 2,4-Difluoro-1-isocyanobenzene is 139.02 g/mol.
Where can I buy 2,4-Difluoro-1-isocyanobenzene?
You can request a quote for 2,4-Difluoro-1-isocyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluoro-1-isocyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluoro-1-isocyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.