RefChem:1080915
TL;DR: RefChem:1080915 (CAS 63982-18-3) is a chemical compound with molecular formula C14H20ClN3O4 and molecular weight 329.11423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methyl-5-(methylcarbamoyloxy)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] N-methylcarbamate chloride
Also Known As: T-1970, Isoquinoline, 2-methyl-1,2,3,4-tetrahydro-5,6-bis-(N-methylcarbamyloxy) hydrochloride, Carbamic acid, methyl-, (1,2,3,4-tetrahydro-2-methyl)-5,6-isoquinolylene ester, (2:1), hydrochloride, CARBAMIC ACID, METHYL-, (1,2,3,4-TETRAHYDRO-2-METHYL)-5,6-ISOQUINOLYLENE ESTER,, [2-methyl-5-(methylcarbamoyloxy)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] N-methylcarbamate chloride
Technical Specifications
| Molecular Formula | C14H20ClN3O4 |
| Molecular Weight | 329.11423 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.11423 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | CNC(=O)OC1=C(C2=C(C[NH+](CC2)C)C=C1)OC(=O)NC.[Cl-] |
| InChIKey | TZEYIOKZNXRTCG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1080915
Property Insights of RefChem:1080915
The XLogP value of -3.3 indicates that RefChem:1080915 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080915. Following Lipinski's Rule of Five, RefChem:1080915 has 3 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:1080915?
The CAS number of RefChem:1080915 is 63982-18-3.
What is the molecular formula of RefChem:1080915?
The molecular formula of RefChem:1080915 is C14H20ClN3O4.
What is the molecular weight of RefChem:1080915?
The molecular weight of RefChem:1080915 is 329.11423 g/mol.
Where can I buy RefChem:1080915?
You can request a quote for RefChem:1080915 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1080915?
Yes, CoreyChem provides custom synthesis services for RefChem:1080915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.