7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
TL;DR: 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride (CAS 126480-57-7) is a chemical compound with molecular formula C20H27ClN6O4 and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide;hydrochloride
Also Known As: 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride, (1Z)-N'-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanimidamide--hydrogen chloride (1/1), N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide hydrochloride, RefChem:311453
| Molecular Formula | C20H27ClN6O4 |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 0.8627 |
| Topological Polar Surface Area | 118.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.17822 |
| Heavy Atoms | 31 |
| Complexity | 1210.826 |
Chemical Identifiers
| CAS Number | 126480-57-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=NCCC3=CC(=C(C=C3)OC)OC)N.Cl |
Product Overview
7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride (CAS 126480-57-7), with molecular formula C20H27ClN6O4 and molecular weight 450.18 g/mol. IUPAC: N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide;hydrochloride.
Chemical Property Profile of 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
Property Insights of 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
The XLogP value of 0.8627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Purine-7-propanimidamide, 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-propanimidamide, 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-propanimidamide, 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-propanimidamide, 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-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is 126480-57-7.
What is the molecular formula of 7H-Purine-7-propanimidamide, 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-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is C20H27ClN6O4.
What is the molecular weight of 7H-Purine-7-propanimidamide, 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-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride is 450.18 g/mol.
Where can I buy 7H-Purine-7-propanimidamide, 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-propanimidamide, 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-propanimidamide, 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-propanimidamide, 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.