1-Bromo-4-(1-isocyanoethyl)benzene
TL;DR: 1-Bromo-4-(1-isocyanoethyl)benzene (CAS 67995-13-5) is a chemical compound with molecular formula C9H8BrN and molecular weight 208.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(1-isocyanoethyl)benzene
Also Known As: 1-bromo-4-(1-isocyanoethyl)benzene, 1-(4-BROMOPHENYL)ETHYLISOCYANIDE, starbld0003011, 1-(4-Bromophenyl)ethylisocyanid
| Molecular Formula | C9H8BrN |
|---|---|
| Molecular Weight | 208.98 g/mol |
| LogP | 3.42939 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.98401 |
| Heavy Atoms | 11 |
| Complexity | 270.60938 |
Chemical Identifiers
| CAS Number | 67995-13-5 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)Br)[N+]#[C-] |
Product Overview
1-Bromo-4-(1-isocyanoethyl)benzene (CAS 67995-13-5), with molecular formula C9H8BrN and molecular weight 208.98 g/mol. IUPAC: 1-bromo-4-(1-isocyanoethyl)benzene.
Chemical Property Profile of 1-Bromo-4-(1-isocyanoethyl)benzene
Property Insights of 1-Bromo-4-(1-isocyanoethyl)benzene
The XLogP value of 3.42939 indicates that 1-Bromo-4-(1-isocyanoethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Bromo-4-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(1-isocyanoethyl)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-4-(1-isocyanoethyl)benzene?
The CAS number of 1-Bromo-4-(1-isocyanoethyl)benzene is 67995-13-5.
What is the molecular formula of 1-Bromo-4-(1-isocyanoethyl)benzene?
The molecular formula of 1-Bromo-4-(1-isocyanoethyl)benzene is C9H8BrN.
What is the molecular weight of 1-Bromo-4-(1-isocyanoethyl)benzene?
The molecular weight of 1-Bromo-4-(1-isocyanoethyl)benzene is 208.98 g/mol.
Where can I buy 1-Bromo-4-(1-isocyanoethyl)benzene?
You can request a quote for 1-Bromo-4-(1-isocyanoethyl)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-4-(1-isocyanoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.