RefChem:350084
TL;DR: RefChem:350084 (CAS 64047-63-8) is a chemical compound with molecular formula C15H22IN3O4 and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-5-(methylcarbamoyloxy)-3,4-dihydro-1H-isoquinolin-2-ium-6-yl] N-methylcarbamate iodide
Also Known As: T-1971, Isoquinolinium, 1,2,3,4-tetrahydro-2,2-dimethyl-5,6-bis(methylcarbamoyloxy)-, iodide, Isoquinoline, 2-methyl-1,2,3,4-tetrahydro-5,6-bis(N-methylcarbamyloxy) methiodide, Isoquinolinium, 1,2,3,4-tetrahydro-5,6-dihydroxy-2,2-dimethyl-, iodide, bis(methylcarbamate), ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-5,6-DIHYDROXY-2,2-DIMETHYL-, IODIDE, BIS(METH
| Molecular Formula | C15H22IN3O4 |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | -1.74 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0655 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 64047-63-8 |
|---|---|
| SMILES | CNC(=O)OC1=C(C2=C(C[N+](CC2)(C)C)C=C1)OC(=O)NC.[I-] |
| InChIKey | XJRWVRWJCAETQY-UHFFFAOYSA-N |
Product Overview
RefChem:350084 (CAS 64047-63-8), with molecular formula C15H22IN3O4 and molecular weight 435.07 g/mol. IUPAC: [2,2-dimethyl-5-(methylcarbamoyloxy)-3,4-dihydro-1H-isoquinolin-2-ium-6-yl] N-methylcarbamate iodide.
Chemical Property Profile of RefChem:350084
Property Insights of RefChem:350084
The XLogP value of -1.74 indicates that RefChem:350084 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350084. Following Lipinski's Rule of Five, RefChem:350084 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:350084?
The CAS number of RefChem:350084 is 64047-63-8.
What is the molecular formula of RefChem:350084?
The molecular formula of RefChem:350084 is C15H22IN3O4.
What is the molecular weight of RefChem:350084?
The molecular weight of RefChem:350084 is 435.07 g/mol.
Where can I buy RefChem:350084?
You can request a quote for RefChem:350084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350084?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.