6-tert-Butyl-2,3-naphthalenedicarbonitrile
TL;DR: 6-tert-Butyl-2,3-naphthalenedicarbonitrile (CAS 32703-82-5) is a chemical compound with molecular formula C16H14N2 and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butylnaphthalene-2,3-dicarbonitrile
Also Known As: 6-(tert-butyl)naphthalene-2,3-dicarbonitrile, 6-tert-Butyl-2,3-naphthalenedicarbonitrile, 6-tert-butylnaphthalene-2,3-dicarbonitrile, Maybridge4_000492, 6-t-butyl-2,3-dicyanonaphthalene
| Molecular Formula | C16H14N2 |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11569 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 32703-82-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#N |
| InChIKey | MKILROQBJOOZKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-tert-Butyl-2,3-naphthalenedicarbonitrile (CAS 32703-82-5), with molecular formula C16H14N2 and molecular weight 234.12 g/mol. IUPAC: 6-tert-butylnaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 6-tert-Butyl-2,3-naphthalenedicarbonitrile
Property Insights of 6-tert-Butyl-2,3-naphthalenedicarbonitrile
The XLogP value of 4.3 indicates that 6-tert-Butyl-2,3-naphthalenedicarbonitrile 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-tert-Butyl-2,3-naphthalenedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,3-naphthalenedicarbonitrile 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-tert-Butyl-2,3-naphthalenedicarbonitrile?
The CAS number of 6-tert-Butyl-2,3-naphthalenedicarbonitrile is 32703-82-5.
What is the molecular formula of 6-tert-Butyl-2,3-naphthalenedicarbonitrile?
The molecular formula of 6-tert-Butyl-2,3-naphthalenedicarbonitrile is C16H14N2.
What is the molecular weight of 6-tert-Butyl-2,3-naphthalenedicarbonitrile?
The molecular weight of 6-tert-Butyl-2,3-naphthalenedicarbonitrile is 234.12 g/mol.
Where can I buy 6-tert-Butyl-2,3-naphthalenedicarbonitrile?
You can request a quote for 6-tert-Butyl-2,3-naphthalenedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,3-naphthalenedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,3-naphthalenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.