1-Bromo-3-(isocyanomethyl)benzene
TL;DR: 1-Bromo-3-(isocyanomethyl)benzene (CAS 602261-84-7) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-(isocyanomethyl)benzene
Also Known As: 1-bromo-3-(isocyanomethyl)benzene, 3-Bromobenzyl isocyanide, J2.372.550I, RefChem:228477
| Molecular Formula | C8H6BrN |
|---|---|
| Molecular Weight | 194.97 g/mol |
| LogP | 2.86839 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.96835 |
| Heavy Atoms | 10 |
| Complexity | 262.20526 |
Chemical Identifiers
| CAS Number | 602261-84-7 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC(=CC=C1)Br |
Product Overview
1-Bromo-3-(isocyanomethyl)benzene (CAS 602261-84-7), with molecular formula C8H6BrN and molecular weight 194.97 g/mol. IUPAC: 1-bromo-3-(isocyanomethyl)benzene.
Chemical Property Profile of 1-Bromo-3-(isocyanomethyl)benzene
Property Insights of 1-Bromo-3-(isocyanomethyl)benzene
The XLogP value of 2.86839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-(isocyanomethyl)benzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Bromo-3-(isocyanomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-(isocyanomethyl)benzene 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-3-(isocyanomethyl)benzene?
The CAS number of 1-Bromo-3-(isocyanomethyl)benzene is 602261-84-7.
What is the molecular formula of 1-Bromo-3-(isocyanomethyl)benzene?
The molecular formula of 1-Bromo-3-(isocyanomethyl)benzene is C8H6BrN.
What is the molecular weight of 1-Bromo-3-(isocyanomethyl)benzene?
The molecular weight of 1-Bromo-3-(isocyanomethyl)benzene is 194.97 g/mol.
Where can I buy 1-Bromo-3-(isocyanomethyl)benzene?
You can request a quote for 1-Bromo-3-(isocyanomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-(isocyanomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-(isocyanomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.