2,4,6-Tribromophenyl isocyanate
TL;DR: 2,4,6-Tribromophenyl isocyanate (CAS 826-97-1) is a chemical compound with molecular formula C7H2Br3NO and molecular weight 352.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tribromo-2-isocyanatobenzene
Also Known As: 2,4,6-Tribromophenyl isocyanate, 1,3,5-tribromo-2-isocyanatobenzene, 2,4,6-tribromophenylisocyanate, 511994_ALDRICH, 246-TRIBROMOPHENYLISOCYANATE97
| Molecular Formula | C7H2Br3NO |
|---|---|
| Molecular Weight | 352.77 g/mol |
| LogP | 3.9414 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.76865 |
| Heavy Atoms | 12 |
| Complexity | 334.66428 |
Chemical Identifiers
| CAS Number | 826-97-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)N=C=O)Br)Br |
Product Overview
2,4,6-Tribromophenyl isocyanate (CAS 826-97-1), with molecular formula C7H2Br3NO and molecular weight 352.77 g/mol. IUPAC: 1,3,5-tribromo-2-isocyanatobenzene.
Chemical Property Profile of 2,4,6-Tribromophenyl isocyanate
Property Insights of 2,4,6-Tribromophenyl isocyanate
The XLogP value of 3.9414 indicates that 2,4,6-Tribromophenyl 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, 2,4,6-Tribromophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromophenyl 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 2,4,6-Tribromophenyl isocyanate?
The CAS number of 2,4,6-Tribromophenyl isocyanate is 826-97-1.
What is the molecular formula of 2,4,6-Tribromophenyl isocyanate?
The molecular formula of 2,4,6-Tribromophenyl isocyanate is C7H2Br3NO.
What is the molecular weight of 2,4,6-Tribromophenyl isocyanate?
The molecular weight of 2,4,6-Tribromophenyl isocyanate is 352.77 g/mol.
Where can I buy 2,4,6-Tribromophenyl isocyanate?
You can request a quote for 2,4,6-Tribromophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tribromophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.