2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile
TL;DR: 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile (CAS 72605-01-7) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetonitrile
Also Known As: 2-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetonitrile, J1.669.046E, 2-(1-oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile, 2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetonitrile, 1-Oxo-1,2,3,4-tetrahydronaphthalene-2-acetonitrile
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.34538 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 403.02792 |
Chemical Identifiers
| CAS Number | 72605-01-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1CC#N |
Product Overview
2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile (CAS 72605-01-7), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetonitrile.
Chemical Property Profile of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile
Property Insights of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile
The XLogP value of 2.34538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile 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-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile?
The CAS number of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile is 72605-01-7.
What is the molecular formula of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile?
The molecular formula of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile is C12H11NO.
What is the molecular weight of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile?
The molecular weight of 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile is 185.08 g/mol.
Where can I buy 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile?
You can request a quote for 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Oxo-1,2,3,4-tetrahydro-2-naphthyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.