2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one
TL;DR: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one (CAS 114199-18-7) is a chemical compound with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-(2-hydroxyethoxymethyl)-7-methylpurin-9-ium-6-olate
Also Known As: 7-Methylacyclovir hemisulfate, 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one, 2-amino-9-(2-hydroxyethoxymethyl)-7-methylpurin-9-ium-6-olate, 7-Methyl-9-[(2-hydroxyethoxy)methyl]guanine hemisulfate 0.5 H2SO4, 9-[(2-Hydroxyethoxy)methyl]-2-imino-7-methyl-3,9-dihydro-2H-purin-7-ium-6-olate
| Molecular Formula | C9H13N5O3 |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | -2.122 |
| Topological Polar Surface Area | 113.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.10184 |
| Heavy Atoms | 17 |
| Complexity | 538.9011 |
Chemical Identifiers
| CAS Number | 114199-18-7 |
|---|---|
| SMILES | CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])COCCO |
Product Overview
2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one (CAS 114199-18-7), with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol. IUPAC: 2-amino-9-(2-hydroxyethoxymethyl)-7-methylpurin-9-ium-6-olate.
Chemical Property Profile of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one
Property Insights of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one
The XLogP value of -2.122 indicates that 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one. Following Lipinski's Rule of Five, 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one has 2 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 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one?
The CAS number of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one is 114199-18-7.
What is the molecular formula of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one?
The molecular formula of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one is C9H13N5O3.
What is the molecular weight of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one?
The molecular weight of 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one is 239.10 g/mol.
Where can I buy 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one?
You can request a quote for 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1H-purin-7-ium-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.