RefChem:384367
TL;DR: RefChem:384367 (CAS 52943-60-9) is a chemical compound with molecular formula C21H30IN5O4 and molecular weight 543.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione;iodomethane
Also Known As: 7-(2-((3,4-Dimethoxyphenethyl)methylamino)ethyl)theophylline compd. with methiodide, Theophylline, 7-(2-((3,4-dimethoxyphenethyl)methylamino)ethyl)-, compd. with methiodide, 7-(2-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--iodomethane (1/1), 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione; iodomethane, RefChem:384367
| Molecular Formula | C21H30IN5O4 |
|---|---|
| Molecular Weight | 543.13 g/mol |
| LogP | 1.6766 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.1343 |
| Heavy Atoms | 31 |
| Complexity | 1135.2261 |
Chemical Identifiers
| CAS Number | 52943-60-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC(=C(C=C3)OC)OC.CI |
Product Overview
RefChem:384367 (CAS 52943-60-9), with molecular formula C21H30IN5O4 and molecular weight 543.13 g/mol. IUPAC: 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione;iodomethane.
Chemical Property Profile of RefChem:384367
Property Insights of RefChem:384367
The XLogP value of 1.6766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:384367. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:384367. Following Lipinski's Rule of Five, RefChem:384367 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:384367?
The CAS number of RefChem:384367 is 52943-60-9.
What is the molecular formula of RefChem:384367?
The molecular formula of RefChem:384367 is C21H30IN5O4.
What is the molecular weight of RefChem:384367?
The molecular weight of RefChem:384367 is 543.13 g/mol.
Where can I buy RefChem:384367?
You can request a quote for RefChem:384367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:384367?
Yes, KEHONG BIO provides custom synthesis services for RefChem:384367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.