PTIQ
TL;DR: PTIQ (CAS 1032822-42-6) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: PTIQ, Sid 747278, KST-1B4054, 1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol, 1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H18N2O4 |
| Molecular Weight | 302.12665 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | CC1=NC=C(C(=C1O)C2C3=CC(=C(C=C3CCN2)O)O)CO |
| InChIKey | XGMGYAMJDYPOES-UHFFFAOYSA-N |
Chemical Property Profile of PTIQ
Property Insights of PTIQ
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PTIQ. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PTIQ. Following Lipinski's Rule of Five, PTIQ has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of PTIQ?
The CAS number of PTIQ is 1032822-42-6.
What is the molecular formula of PTIQ?
The molecular formula of PTIQ is C16H18N2O4.
What is the molecular weight of PTIQ?
The molecular weight of PTIQ is 302.12665 g/mol.
Where can I buy PTIQ?
You can request a quote for PTIQ directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for PTIQ?
Yes, CoreyChem provides custom synthesis services for PTIQ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.