1-Azido-3-bromobenzene
TL;DR: 1-Azido-3-bromobenzene (CAS 2101-89-5) is a chemical compound with molecular formula C6H4BrN3 and molecular weight 196.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azido-3-bromobenzene
Also Known As: 1-azido-3-bromobenzene, m-Bromophenyl azide, Benzene, 1-azido-3-bromo-, 3-Bromophenyl azide, 1-azido-3-bromo-benzene
| Molecular Formula | C6H4BrN3 |
|---|---|
| Molecular Weight | 196.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 14.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.95886 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 2101-89-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N=[N+]=[N-] |
| InChIKey | KLKGUBBTVRHUGD-UHFFFAOYSA-N |
Product Overview
1-Azido-3-bromobenzene (CAS 2101-89-5), with molecular formula C6H4BrN3 and molecular weight 196.96 g/mol. IUPAC: 1-azido-3-bromobenzene.
Chemical Property Profile of 1-Azido-3-bromobenzene
Property Insights of 1-Azido-3-bromobenzene
The XLogP value of 3.5 indicates that 1-Azido-3-bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 14.4 Ų, 1-Azido-3-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azido-3-bromobenzene 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 1-Azido-3-bromobenzene?
The CAS number of 1-Azido-3-bromobenzene is 2101-89-5.
What is the molecular formula of 1-Azido-3-bromobenzene?
The molecular formula of 1-Azido-3-bromobenzene is C6H4BrN3.
What is the molecular weight of 1-Azido-3-bromobenzene?
The molecular weight of 1-Azido-3-bromobenzene is 196.96 g/mol.
Where can I buy 1-Azido-3-bromobenzene?
You can request a quote for 1-Azido-3-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azido-3-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Azido-3-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.