RefChem:1069524
TL;DR: RefChem:1069524 (CAS 79677-09-1) is a chemical compound with molecular formula C22H27NO8 and molecular weight 433.17368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate
Also Known As: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-, hexanedioate, hydrate (4:2:1), 1,2,3,4-Tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-4,6-isoquinolinediol hexanedioate H2O (4:2:1), 4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-HYDROXY-3-METHOXYPHENYL)-, HEXANED, 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol,6-hydroxy-6-oxohexanoate, 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol; 6-hydroxy-6-oxohexanoate
Technical Specifications
| Molecular Formula | C22H27NO8 |
| Molecular Weight | 433.17368 g/mol |
| XLogP | 0.19 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.17368 Da |
| Heavy Atoms | 31 |
| Complexity | 477.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)O.C(CCC(=O)[O-])CC(=O)O |
| InChIKey | QQEDQRQKXRZEAN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1069524
Property Insights of RefChem:1069524
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069524. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:1069524 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1069524 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1069524?
The CAS number of RefChem:1069524 is 79677-09-1.
What is the molecular formula of RefChem:1069524?
The molecular formula of RefChem:1069524 is C22H27NO8.
What is the molecular weight of RefChem:1069524?
The molecular weight of RefChem:1069524 is 433.17368 g/mol.
Where can I buy RefChem:1069524?
You can request a quote for RefChem:1069524 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069524?
Yes, CoreyChem provides custom synthesis services for RefChem:1069524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.