RefChem:1096130
TL;DR: RefChem:1096130 (CAS 132680-95-6) is a chemical compound with molecular formula C20H29ClN2O3 and molecular weight 380.18668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone;hydrochloride
Also Known As: Piperidine, 1-((3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)-, monohydrochloride, (Z)-, (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone hydrochloride, (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone,hydrochloride
Technical Specifications
| Molecular Formula | C20H29ClN2O3 |
| Molecular Weight | 380.18668 g/mol |
| XLogP | 3.4033 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.18668 Da |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
| SMILES | CC1(CC2=CC(=C(C=C2/C(=C/C(=O)N3CCCCC3)/N1)OC)OC)C.Cl |
| InChIKey | QVRHHLYUKWXKOU-PXJKFVASSA-N |
Chemical Property Profile of RefChem:1096130
Property Insights of RefChem:1096130
The XLogP value of 3.4033 indicates that RefChem:1096130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:1096130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096130 has 2 hydrogen bond donor(s) and 4 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:1096130?
The CAS number of RefChem:1096130 is 132680-95-6.
What is the molecular formula of RefChem:1096130?
The molecular formula of RefChem:1096130 is C20H29ClN2O3.
What is the molecular weight of RefChem:1096130?
The molecular weight of RefChem:1096130 is 380.18668 g/mol.
Where can I buy RefChem:1096130?
You can request a quote for RefChem:1096130 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096130?
Yes, CoreyChem provides custom synthesis services for RefChem:1096130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.