6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline (CAS 152211-63-7) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
Also Known As: DA-CM-Q, 6,7-Dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline, 2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile, 2(1H)-Isoquinolineacetonitrile, 3,4-diydro-6,7-dihydroxy-, 2(1H)-Isoquinolineacetonitrile, 3,4-dihydro-6,7-dihydroxy- (9CI)
Technical Specifications
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | C1CN(CC2=CC(=C(C=C21)O)O)CC#N |
| InChIKey | NSWKXPYAEDMRAW-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline is 152211-63-7.
What is the molecular formula of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline is C11H12N2O2.
What is the molecular weight of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline is 204.08987 g/mol.
Where can I buy 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 6,7-dihydroxy-N-cyanomethyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.