7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
TL;DR: 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride (CAS 126480-54-4) is a chemical compound with molecular formula C19H25ClN6O4 and molecular weight 436.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide;hydrochloride
Also Known As: 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride, N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide;hydrochloride, (1Z)-N'-[2-(3,4-Dimethoxyphenyl)ethyl](1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanimidamide--hydrogen chloride (1/1), N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide hydrochloride, RefChem:311449
| Molecular Formula | C19H25ClN6O4 |
|---|---|
| Molecular Weight | 436.16 g/mol |
| LogP | 0.4726 |
| Topological Polar Surface Area | 118.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.16257 |
| Heavy Atoms | 30 |
| Complexity | 1194.1783 |
Chemical Identifiers
| CAS Number | 126480-54-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=NCCC3=CC(=C(C=C3)OC)OC)N.Cl |
Product Overview
7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride (CAS 126480-54-4), with molecular formula C19H25ClN6O4 and molecular weight 436.16 g/mol. IUPAC: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide;hydrochloride.
Chemical Property Profile of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
Property Insights of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
The XLogP value of 0.4726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride. The TPSA of 118.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride. Following Lipinski's Rule of Five, 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride has 1 hydrogen bond donor(s) and 6 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 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride?
The CAS number of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is 126480-54-4.
What is the molecular formula of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride?
The molecular formula of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is C19H25ClN6O4.
What is the molecular weight of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride?
The molecular weight of 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is 436.16 g/mol.
Where can I buy 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride?
You can request a quote for 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7H-Purine-7-ethanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.