7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride
TL;DR: 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride (CAS 53493-93-9) is a chemical compound with molecular formula C12H18ClN5O4 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-(aminomethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate;hydrochloride
Also Known As: 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride, Chlorowodorek estru etylowego kwasu 8-aminometylo-1,3-dwumetylo-ksantynylo-(7)-octowego, ethyl 2-[8-(aminomethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate hydrochloride, Ethyl [8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate--hydrogen chloride (1/1), RefChem:311445
| Molecular Formula | C12H18ClN5O4 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | -1.1227 |
| Topological Polar Surface Area | 114.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.10474 |
| Heavy Atoms | 22 |
| Complexity | 819.50165 |
Chemical Identifiers
| CAS Number | 53493-93-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN.Cl |
Product Overview
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride (CAS 53493-93-9), with molecular formula C12H18ClN5O4 and molecular weight 331.10 g/mol. IUPAC: ethyl 2-[8-(aminomethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate;hydrochloride.
Chemical Property Profile of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride
Property Insights of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride
The XLogP value of -1.1227 indicates that 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, 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-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride?
The CAS number of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride is 53493-93-9.
What is the molecular formula of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride?
The molecular formula of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride is C12H18ClN5O4.
What is the molecular weight of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride?
The molecular weight of 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride is 331.10 g/mol.
Where can I buy 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride?
You can request a quote for 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, 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-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-8-(aminomethyl)-1,3-dimethyl-2,6-dioxo-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.