1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
TL;DR: 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene (CAS 46495-66-3) is a chemical compound with molecular formula C8ClF3N2O2 and molecular weight 247.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
Also Known As: EINECS 256-271-2, C8ClF3N2O2, 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene, Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato, 6-chloro-2,4,5-trifluoro-1,3-phenylene diisocyanate
| Molecular Formula | C8ClF3N2O2 |
|---|---|
| Molecular Weight | 247.96 g/mol |
| LogP | 2.6919 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.96004 |
| Heavy Atoms | 16 |
| Complexity | 503.6998 |
Chemical Identifiers
| CAS Number | 46495-66-3 |
|---|---|
| SMILES | C(=NC1=C(C(=C(C(=C1F)F)Cl)N=C=O)F)=O |
Product Overview
1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene (CAS 46495-66-3), with molecular formula C8ClF3N2O2 and molecular weight 247.96 g/mol. IUPAC: 1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene.
Chemical Property Profile of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
Property Insights of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
The XLogP value of 2.6919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene 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 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene?
The CAS number of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene is 46495-66-3.
What is the molecular formula of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene?
The molecular formula of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene is C8ClF3N2O2.
What is the molecular weight of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene?
The molecular weight of 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene is 247.96 g/mol.
Where can I buy 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene?
You can request a quote for 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.