3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine
TL;DR: 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine (CAS 114417-13-9) is a chemical compound with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
Also Known As: 6-methyl-TRIC-ACV, 1,N2-(1-Propene-1,2-diyl)acyclovir, 3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one, 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine, 3-((2-Hydroxyethoxy)methyl)-6-methyl-3H-imidazo[1,2-a]purin-9(4H)-one
| Molecular Formula | C11H13N5O3 |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.10184 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 114417-13-9 |
|---|---|
| SMILES | CC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COCCO |
| InChIKey | IKOQPTHMJTZXDR-UHFFFAOYSA-N |
Product Overview
3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine (CAS 114417-13-9), with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol. IUPAC: 3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one.
Chemical Property Profile of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine
Property Insights of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine
The XLogP value of -1.2 indicates that 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine. Following Lipinski's Rule of Five, 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine has 2 hydrogen bond donor(s) and 5 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 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine?
The CAS number of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine is 114417-13-9.
What is the molecular formula of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine?
The molecular formula of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine is C11H13N5O3.
What is the molecular weight of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine?
The molecular weight of 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine is 263.10 g/mol.
Where can I buy 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine?
You can request a quote for 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dihydro-3-((2-hydroxyethoxy)methyl)-6-methyl-9-oxo-5H-imidazo(1,2-a)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.