2,4-Dibromophenyl isocyanate
TL;DR: 2,4-Dibromophenyl isocyanate (CAS 55076-90-9) is a chemical compound with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dibromo-1-isocyanatobenzene
Also Known As: 2,4-Dibromophenyl isocyanate, 2,4-dibromo-1-isocyanatobenzene, 2,4-dibromophenylisocyanate, 2,4-dibromobenzenisocyanate, 2,4-dibromo phenyl isocyanate
| Molecular Formula | C7H3Br2NO |
|---|---|
| Molecular Weight | 274.86 g/mol |
| LogP | 3.1789 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.85815 |
| Heavy Atoms | 11 |
| Complexity | 318.21664 |
Chemical Identifiers
| CAS Number | 55076-90-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)Br)N=C=O |
Product Overview
2,4-Dibromophenyl isocyanate (CAS 55076-90-9), with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol. IUPAC: 2,4-dibromo-1-isocyanatobenzene.
Chemical Property Profile of 2,4-Dibromophenyl isocyanate
Property Insights of 2,4-Dibromophenyl isocyanate
The XLogP value of 3.1789 indicates that 2,4-Dibromophenyl 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-Dibromophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromophenyl 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-Dibromophenyl isocyanate?
The CAS number of 2,4-Dibromophenyl isocyanate is 55076-90-9.
What is the molecular formula of 2,4-Dibromophenyl isocyanate?
The molecular formula of 2,4-Dibromophenyl isocyanate is C7H3Br2NO.
What is the molecular weight of 2,4-Dibromophenyl isocyanate?
The molecular weight of 2,4-Dibromophenyl isocyanate is 274.86 g/mol.
Where can I buy 2,4-Dibromophenyl isocyanate?
You can request a quote for 2,4-Dibromophenyl 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-Dibromophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.