2,3-Dibromo-6,7-dicyanonaphthalene
TL;DR: 2,3-Dibromo-6,7-dicyanonaphthalene (CAS 74815-81-9) is a chemical compound with molecular formula C12H4Br2N2 and molecular weight 333.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dibromonaphthalene-2,3-dicarbonitrile
Also Known As: 6,7-Dibromonaphthalene-2,3-dicarbonitrile, 2,3-Dibromo-6,7-dicyanonaphthalene, Kaerophyllin, YHUVAAVMNCSZQN-UHFFFAOYSA-, 6,7-Dibromo-2,3-naphthalenedicarbonitrile
| Molecular Formula | C12H4Br2N2 |
|---|---|
| Molecular Weight | 333.87 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 333.8741 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 74815-81-9 |
|---|---|
| SMILES | C1=C2C=C(C(=CC2=CC(=C1C#N)C#N)Br)Br |
| InChIKey | YHUVAAVMNCSZQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dibromo-6,7-dicyanonaphthalene (CAS 74815-81-9), with molecular formula C12H4Br2N2 and molecular weight 333.87 g/mol. IUPAC: 6,7-dibromonaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Dibromo-6,7-dicyanonaphthalene
Property Insights of 2,3-Dibromo-6,7-dicyanonaphthalene
The XLogP value of 4.0 indicates that 2,3-Dibromo-6,7-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, 2,3-Dibromo-6,7-dicyanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromo-6,7-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 2,3-Dibromo-6,7-dicyanonaphthalene?
The CAS number of 2,3-Dibromo-6,7-dicyanonaphthalene is 74815-81-9.
What is the molecular formula of 2,3-Dibromo-6,7-dicyanonaphthalene?
The molecular formula of 2,3-Dibromo-6,7-dicyanonaphthalene is C12H4Br2N2.
What is the molecular weight of 2,3-Dibromo-6,7-dicyanonaphthalene?
The molecular weight of 2,3-Dibromo-6,7-dicyanonaphthalene is 333.87 g/mol.
Where can I buy 2,3-Dibromo-6,7-dicyanonaphthalene?
You can request a quote for 2,3-Dibromo-6,7-dicyanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-6,7-dicyanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-6,7-dicyanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.