2,6-Difluorobenzoyl isocyanate
TL;DR: 2,6-Difluorobenzoyl isocyanate (CAS 60731-73-9) is a chemical compound with molecular formula C8H3F2NO2 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluorobenzoyl isocyanate
Also Known As: 2,6-difluorobenzoyl isocyanate, 2,6-difluorobenzoylisocyanate, 2,6-Difluorobenzylisocyanate, Benzoyl isocyanate, 2,6-difluoro-, 2.6-difluorobenzoyl isocyanate
| Molecular Formula | C8H3F2NO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 1.4408 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01318 |
| Heavy Atoms | 13 |
| Complexity | 376.88055 |
Chemical Identifiers
| CAS Number | 60731-73-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)N=C=O)F |
Product Overview
2,6-Difluorobenzoyl isocyanate (CAS 60731-73-9), with molecular formula C8H3F2NO2 and molecular weight 183.01 g/mol. IUPAC: 2,6-difluorobenzoyl isocyanate.
Chemical Property Profile of 2,6-Difluorobenzoyl isocyanate
Property Insights of 2,6-Difluorobenzoyl isocyanate
The XLogP value of 1.4408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Difluorobenzoyl isocyanate. With a topological polar surface area (TPSA) of 46.5 Ų, 2,6-Difluorobenzoyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluorobenzoyl isocyanate 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 2,6-Difluorobenzoyl isocyanate?
The CAS number of 2,6-Difluorobenzoyl isocyanate is 60731-73-9.
What is the molecular formula of 2,6-Difluorobenzoyl isocyanate?
The molecular formula of 2,6-Difluorobenzoyl isocyanate is C8H3F2NO2.
What is the molecular weight of 2,6-Difluorobenzoyl isocyanate?
The molecular weight of 2,6-Difluorobenzoyl isocyanate is 183.01 g/mol.
Where can I buy 2,6-Difluorobenzoyl isocyanate?
You can request a quote for 2,6-Difluorobenzoyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Difluorobenzoyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluorobenzoyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.