2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
TL;DR: 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile (CAS 290366-66-4) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
Also Known As: 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile, 2-propanoyl-1,2,3,4-tetrahydroisoquinolinecarbonitrile, 2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile, 2-propionyl-1,2,3,4-tetrahydro-1-isoquinolinecarbonitrile
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.04598 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 447.49097 |
Chemical Identifiers
| CAS Number | 290366-66-4 |
|---|---|
| SMILES | CCC(=O)N1CCC2=CC=CC=C2C1C#N |
Product Overview
2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile (CAS 290366-66-4), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
Property Insights of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
The XLogP value of 2.04598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile 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-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The CAS number of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile is 290366-66-4.
What is the molecular formula of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The molecular formula of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile is C13H14N2O.
What is the molecular weight of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The molecular weight of 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile is 214.11 g/mol.
Where can I buy 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
You can request a quote for 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.