3,4-Dihydro-2-naphthalenylacetonitrile
TL;DR: 3,4-Dihydro-2-naphthalenylacetonitrile (CAS 59347-87-4) is a chemical compound with molecular formula C12H11N and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydronaphthalen-1-yl)acetonitrile
Also Known As: 2-(3,4-dihydronaphthalen-1-yl)acetonitrile, 3,4-Dihydro-2-naphthalenylacetonitrile
| Molecular Formula | C12H11N |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 2.92988 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.08914 |
| Heavy Atoms | 13 |
| Complexity | 382.3561 |
Chemical Identifiers
| CAS Number | 59347-87-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=C1)CC#N |
Product Overview
3,4-Dihydro-2-naphthalenylacetonitrile (CAS 59347-87-4), with molecular formula C12H11N and molecular weight 169.09 g/mol. IUPAC: 2-(3,4-dihydronaphthalen-1-yl)acetonitrile.
Chemical Property Profile of 3,4-Dihydro-2-naphthalenylacetonitrile
Property Insights of 3,4-Dihydro-2-naphthalenylacetonitrile
The XLogP value of 2.92988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2-naphthalenylacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3,4-Dihydro-2-naphthalenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2-naphthalenylacetonitrile 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 3,4-Dihydro-2-naphthalenylacetonitrile?
The CAS number of 3,4-Dihydro-2-naphthalenylacetonitrile is 59347-87-4.
What is the molecular formula of 3,4-Dihydro-2-naphthalenylacetonitrile?
The molecular formula of 3,4-Dihydro-2-naphthalenylacetonitrile is C12H11N.
What is the molecular weight of 3,4-Dihydro-2-naphthalenylacetonitrile?
The molecular weight of 3,4-Dihydro-2-naphthalenylacetonitrile is 169.09 g/mol.
Where can I buy 3,4-Dihydro-2-naphthalenylacetonitrile?
You can request a quote for 3,4-Dihydro-2-naphthalenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2-naphthalenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2-naphthalenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.