C22H26ClNO4.ClH
TL;DR: C22H26ClNO4.ClH (CAS 63938-05-6) is a chemical compound with molecular formula C22H27Cl2NO4 and molecular weight 439.1317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(beta-acetoxy-4-chloro)phenethyl-6,7-dimethoxy-2-methyl-, hydrochloride, [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(beta-ACETOXY-4-CHLORO)PHENETHYL-6,7-DIMETHOX, [1-(4-Chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl]acetate chloride, 1-Isoquinolineethanol, .alpha.-(4-chlorophenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, acetate (ester), hydrochloride
Technical Specifications
| Molecular Formula | C22H27Cl2NO4 |
| Molecular Weight | 439.1317 g/mol |
| XLogP | 0.17 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1317 Da |
| Heavy Atoms | 29 |
| Complexity | 511.0 |
| SMILES | CC(=O)OC(CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OC)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | UPHNITDUIYSNSY-UHFFFAOYSA-N |
Chemical Property Profile of C22H26ClNO4.ClH
Property Insights of C22H26ClNO4.ClH
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H26ClNO4.ClH. With a topological polar surface area (TPSA) of 49.2 Ų, C22H26ClNO4.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H26ClNO4.ClH has 1 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 C22H26ClNO4.ClH?
The CAS number of C22H26ClNO4.ClH is 63938-05-6.
What is the molecular formula of C22H26ClNO4.ClH?
The molecular formula of C22H26ClNO4.ClH is C22H27Cl2NO4.
What is the molecular weight of C22H26ClNO4.ClH?
The molecular weight of C22H26ClNO4.ClH is 439.1317 g/mol.
Where can I buy C22H26ClNO4.ClH?
You can request a quote for C22H26ClNO4.ClH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H26ClNO4.ClH?
Yes, CoreyChem provides custom synthesis services for C22H26ClNO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.