6-Bromo-2,3-dicyanonaphthalene
TL;DR: 6-Bromo-2,3-dicyanonaphthalene (CAS 71123-70-1) is a chemical compound with molecular formula C12H5BrN2 and molecular weight 255.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromonaphthalene-2,3-dicarbonitrile
Also Known As: 6-Bromo-2,3-dicyanonaphthalene, 6-Bromonaphthalene-2,3-dicarbonitrile, Piperazine-2-carboxamide, 677-989-6, RefChem:540635
| Molecular Formula | C12H5BrN2 |
|---|---|
| Molecular Weight | 255.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.96361 |
| Heavy Atoms | 15 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 71123-70-1 |
|---|---|
| SMILES | C1=CC(=CC2=CC(=C(C=C21)C#N)C#N)Br |
| InChIKey | UERLNOIJNRUJKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-2,3-dicyanonaphthalene (CAS 71123-70-1), with molecular formula C12H5BrN2 and molecular weight 255.96 g/mol. IUPAC: 6-bromonaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 6-Bromo-2,3-dicyanonaphthalene
Property Insights of 6-Bromo-2,3-dicyanonaphthalene
The XLogP value of 3.3 indicates that 6-Bromo-2,3-dicyanonaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 6-Bromo-2,3-dicyanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2,3-dicyanonaphthalene 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 6-Bromo-2,3-dicyanonaphthalene?
The CAS number of 6-Bromo-2,3-dicyanonaphthalene is 71123-70-1.
What is the molecular formula of 6-Bromo-2,3-dicyanonaphthalene?
The molecular formula of 6-Bromo-2,3-dicyanonaphthalene is C12H5BrN2.
What is the molecular weight of 6-Bromo-2,3-dicyanonaphthalene?
The molecular weight of 6-Bromo-2,3-dicyanonaphthalene is 255.96 g/mol.
Where can I buy 6-Bromo-2,3-dicyanonaphthalene?
You can request a quote for 6-Bromo-2,3-dicyanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2,3-dicyanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2,3-dicyanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.