RefChem:306268
TL;DR: RefChem:306268 (CAS 63905-69-1) is a chemical compound with molecular formula C24H26ClNO8 and molecular weight 491.1347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate;2-hydroxy-2-oxoacetate
Also Known As: 1,3-DIHYDRO-1-HYDROXY-2,1-BENZISOXAZOL-3-AMINE, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, diacetate (ester), hydrogen oxalate, 6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)-2-METHYL-, DIACET, [6-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl] acetate; 2-hydroxy-2-oxoacetate, [6-Acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]acetate; 2-hydroxy-2-oxoacetate
Technical Specifications
| Molecular Formula | C24H26ClNO8 |
| Molecular Weight | 491.1347 g/mol |
| XLogP | 0.76 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1347 Da |
| Heavy Atoms | 34 |
| Complexity | 627.0 |
| SMILES | CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O |
| InChIKey | MNCIGKWNJKSUMU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:306268
Property Insights of RefChem:306268
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:306268. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:306268. Following Lipinski's Rule of Five, RefChem:306268 has 2 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:306268?
The CAS number of RefChem:306268 is 63905-69-1.
What is the molecular formula of RefChem:306268?
The molecular formula of RefChem:306268 is C24H26ClNO8.
What is the molecular weight of RefChem:306268?
The molecular weight of RefChem:306268 is 491.1347 g/mol.
Where can I buy RefChem:306268?
You can request a quote for RefChem:306268 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:306268?
Yes, CoreyChem provides custom synthesis services for RefChem:306268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.