RefChem:1055676
TL;DR: RefChem:1055676 (CAS 23824-12-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
Also Known As: 5-22-05-00387 (Beilstein Handbook Reference), 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, methyl ester, 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid methyl ester, 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-, methyl ester, Methyl 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Technical Specifications
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.10011 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| SMILES | CN1CC(C2=C(C1C(=O)OC)C=CC(=C2)O)O |
| InChIKey | MEKWCZAUQSRYJM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1055676
Property Insights of RefChem:1055676
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055676. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055676. Following Lipinski's Rule of Five, RefChem:1055676 has 2 hydrogen bond donor(s) and 5 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:1055676?
The CAS number of RefChem:1055676 is 23824-12-6.
What is the molecular formula of RefChem:1055676?
The molecular formula of RefChem:1055676 is C12H15NO4.
What is the molecular weight of RefChem:1055676?
The molecular weight of RefChem:1055676 is 237.10011 g/mol.
Where can I buy RefChem:1055676?
You can request a quote for RefChem:1055676 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055676?
Yes, CoreyChem provides custom synthesis services for RefChem:1055676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.