1,2,4-Trichloro-5-isocyanatobenzene
TL;DR: 1,2,4-Trichloro-5-isocyanatobenzene (CAS 26328-35-8) is a chemical compound with molecular formula C7H2Cl3NO and molecular weight 220.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-isocyanatobenzene
Also Known As: 1,2,4-trichloro-5-isocyanatobenzene, 2,4,5-Trichlorophenyl isocyanate, 1,2,4-Trichloro-5-isocyanato-benzene, Benzene, 1,2,4-trichloro-5-isocyanato-, 2,4,5-TRICHLOROPHENYLISOCYANATE
| Molecular Formula | C7H2Cl3NO |
|---|---|
| Molecular Weight | 220.92 g/mol |
| LogP | 3.6141 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.9202 |
| Heavy Atoms | 12 |
| Complexity | 357.91428 |
Chemical Identifiers
| CAS Number | 26328-35-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)N=C=O |
Product Overview
1,2,4-Trichloro-5-isocyanatobenzene (CAS 26328-35-8), with molecular formula C7H2Cl3NO and molecular weight 220.92 g/mol. IUPAC: 1,2,4-trichloro-5-isocyanatobenzene.
Chemical Property Profile of 1,2,4-Trichloro-5-isocyanatobenzene
Property Insights of 1,2,4-Trichloro-5-isocyanatobenzene
The XLogP value of 3.6141 indicates that 1,2,4-Trichloro-5-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1,2,4-Trichloro-5-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-5-isocyanatobenzene 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 1,2,4-Trichloro-5-isocyanatobenzene?
The CAS number of 1,2,4-Trichloro-5-isocyanatobenzene is 26328-35-8.
What is the molecular formula of 1,2,4-Trichloro-5-isocyanatobenzene?
The molecular formula of 1,2,4-Trichloro-5-isocyanatobenzene is C7H2Cl3NO.
What is the molecular weight of 1,2,4-Trichloro-5-isocyanatobenzene?
The molecular weight of 1,2,4-Trichloro-5-isocyanatobenzene is 220.92 g/mol.
Where can I buy 1,2,4-Trichloro-5-isocyanatobenzene?
You can request a quote for 1,2,4-Trichloro-5-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-5-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-5-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.