2,3,5,6-Tetrachlorophenyl isocyanate
TL;DR: 2,3,5,6-Tetrachlorophenyl isocyanate (CAS 40398-02-5) is a chemical compound with molecular formula C7HCl4NO and molecular weight 254.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-isocyanatobenzene
Also Known As: 2,3,5,6-Tetrachlorophenyl isocyanate, C7HCl4NO, 1,2,4,5-tetrachloro-3-isocyanatobenzene, 1,2,4,5-tetrachloro-3-isocyanato-benzene, Benzene, 1,2,4,5-tetrachloro-3-isocyanato-
| Molecular Formula | C7HCl4NO |
|---|---|
| Molecular Weight | 254.88 g/mol |
| LogP | 4.2675 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.88123 |
| Heavy Atoms | 13 |
| Complexity | 371.71927 |
Chemical Identifiers
| CAS Number | 40398-02-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)N=C=O)Cl)Cl |
Product Overview
2,3,5,6-Tetrachlorophenyl isocyanate (CAS 40398-02-5), with molecular formula C7HCl4NO and molecular weight 254.88 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-isocyanatobenzene.
Chemical Property Profile of 2,3,5,6-Tetrachlorophenyl isocyanate
Property Insights of 2,3,5,6-Tetrachlorophenyl isocyanate
The XLogP value of 4.2675 indicates that 2,3,5,6-Tetrachlorophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 2,3,5,6-Tetrachlorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrachlorophenyl 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 2,3,5,6-Tetrachlorophenyl isocyanate?
The CAS number of 2,3,5,6-Tetrachlorophenyl isocyanate is 40398-02-5.
What is the molecular formula of 2,3,5,6-Tetrachlorophenyl isocyanate?
The molecular formula of 2,3,5,6-Tetrachlorophenyl isocyanate is C7HCl4NO.
What is the molecular weight of 2,3,5,6-Tetrachlorophenyl isocyanate?
The molecular weight of 2,3,5,6-Tetrachlorophenyl isocyanate is 254.88 g/mol.
Where can I buy 2,3,5,6-Tetrachlorophenyl isocyanate?
You can request a quote for 2,3,5,6-Tetrachlorophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrachlorophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrachlorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.