1-Bromo-4-isocyanobenzene
TL;DR: 1-Bromo-4-isocyanobenzene (CAS 33554-73-3) is a chemical compound with molecular formula C7H4BrN and molecular weight 180.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-isocyanobenzene
Also Known As: 1-bromo-4-isocyanobenzene, 4-Bromophenylisocyanide, 4-Bromophenyl isocyanide, p-Bromophenyl isocyanide, 4-bromophenyl isonitrile
| Molecular Formula | C7H4BrN |
|---|---|
| Molecular Weight | 180.95 g/mol |
| LogP | 2.99989 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.95271 |
| Heavy Atoms | 9 |
| Complexity | 232.08821 |
Chemical Identifiers
| CAS Number | 33554-73-3 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=C(C=C1)Br |
Product Overview
1-Bromo-4-isocyanobenzene (CAS 33554-73-3), with molecular formula C7H4BrN and molecular weight 180.95 g/mol. IUPAC: 1-bromo-4-isocyanobenzene.
Chemical Property Profile of 1-Bromo-4-isocyanobenzene
Property Insights of 1-Bromo-4-isocyanobenzene
The XLogP value of 2.99989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-isocyanobenzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Bromo-4-isocyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-isocyanobenzene has 0 hydrogen bond donor(s) and 0 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-Bromo-4-isocyanobenzene?
The CAS number of 1-Bromo-4-isocyanobenzene is 33554-73-3.
What is the molecular formula of 1-Bromo-4-isocyanobenzene?
The molecular formula of 1-Bromo-4-isocyanobenzene is C7H4BrN.
What is the molecular weight of 1-Bromo-4-isocyanobenzene?
The molecular weight of 1-Bromo-4-isocyanobenzene is 180.95 g/mol.
Where can I buy 1-Bromo-4-isocyanobenzene?
You can request a quote for 1-Bromo-4-isocyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-isocyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-isocyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.