RefChem:1079090
TL;DR: RefChem:1079090 (CAS 132680-94-5) is a chemical compound with molecular formula C24H29ClN2O5 and molecular weight 460.1765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate;hydrochloride
Also Known As: Benzoic acid, 4-(((3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)amino)-, ethyl ester, monohydrochloride, (Z)-, ethyl 4-[[(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate hydrochloride
Technical Specifications
| Molecular Formula | C24H29ClN2O5 |
| Molecular Weight | 460.1765 g/mol |
| XLogP | 4.2062 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1765 Da |
| Heavy Atoms | 32 |
| Complexity | 669.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C\2/C3=CC(=C(C=C3CC(N2)(C)C)OC)OC.Cl |
| InChIKey | GAEYPSMDAYDMGN-OKOHOLKASA-N |
Chemical Property Profile of RefChem:1079090
Property Insights of RefChem:1079090
The XLogP value of 4.2062 indicates that RefChem:1079090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079090. Following Lipinski's Rule of Five, RefChem:1079090 has 3 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 RefChem:1079090?
The CAS number of RefChem:1079090 is 132680-94-5.
What is the molecular formula of RefChem:1079090?
The molecular formula of RefChem:1079090 is C24H29ClN2O5.
What is the molecular weight of RefChem:1079090?
The molecular weight of RefChem:1079090 is 460.1765 g/mol.
Where can I buy RefChem:1079090?
You can request a quote for RefChem:1079090 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1079090?
Yes, CoreyChem provides custom synthesis services for RefChem:1079090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.