(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
TL;DR: (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile (CAS 1018-79-7) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
Also Known As: KST-1A0354, (1r)-2-benzoyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile, (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1018-79-7 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)C3=CC=CC=C3)C#N)OC |
| InChIKey | ZSUZEIPCMWBNCP-INIZCTEOSA-N |
Product Overview
(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile (CAS 1018-79-7), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
Property Insights of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 4 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 (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The CAS number of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile is 1018-79-7.
What is the molecular formula of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The molecular formula of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile is C19H18N2O3.
What is the molecular weight of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
The molecular weight of (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile is 322.13 g/mol.
Where can I buy (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
You can request a quote for (1R)-2-benzoyl-6,7-dimethoxy-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 (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.