5,6,7,8-Tetrahydronaphthalene-1-carbonitrile
TL;DR: 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile (CAS 29809-13-0) is a chemical compound with molecular formula C11H11N and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Also Known As: 5,6,7,8-tetrahydronaphthalene-1-carbonitrile, 5-cyanotetralin, tetralin-5-carbonitrile, 5,6,7,8-TETRAHYDRO-NAPHTHALENE-1-CARBONITRILE, 1-Naphthonitrile, 5,6,7,8-tetrahydro-
| Molecular Formula | C11H11N |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.08914 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 29809-13-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC=C2C#N |
| InChIKey | PYPOBLLWIOJZEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-Tetrahydronaphthalene-1-carbonitrile (CAS 29809-13-0), with molecular formula C11H11N and molecular weight 157.09 g/mol. IUPAC: 5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
Chemical Property Profile of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile
Property Insights of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile
The XLogP value of 3.0 indicates that 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile has 0 hydrogen bond donor(s) and 1 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 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile?
The CAS number of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile is 29809-13-0.
What is the molecular formula of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile?
The molecular formula of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile is C11H11N.
What is the molecular weight of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile?
The molecular weight of 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile is 157.09 g/mol.
Where can I buy 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile?
You can request a quote for 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydronaphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.