1-((2-Hydroxethoxy)methyl)-isocytosine
TL;DR: 1-((2-Hydroxethoxy)methyl)-isocytosine (CAS 91897-92-6) is a chemical compound with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2-hydroxyethoxymethyl)pyrimidin-4-one
Also Known As: 1-((2-Hydroxethoxy)methyl)-isocytosine, 1-[(2-Hydroxethoxy)methyl]-isocytosine, 2-amino-1-(2-hydroxyethoxymethyl)pyrimidin-4-one, 2-Amino-1-[(2-hydroxyethoxy)methyl]pyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 2-amino-1-[(2-hydroxyethoxy)methyl]-
| Molecular Formula | C7H11N3O3 |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.08005 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 91897-92-6 |
|---|---|
| SMILES | C1=CN(C(=NC1=O)N)COCCO |
| InChIKey | GELNYZOACSQCRO-UHFFFAOYSA-N |
Product Overview
1-((2-Hydroxethoxy)methyl)-isocytosine (CAS 91897-92-6), with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol. IUPAC: 2-amino-1-(2-hydroxyethoxymethyl)pyrimidin-4-one.
Chemical Property Profile of 1-((2-Hydroxethoxy)methyl)-isocytosine
Property Insights of 1-((2-Hydroxethoxy)methyl)-isocytosine
The XLogP value of -1.9 indicates that 1-((2-Hydroxethoxy)methyl)-isocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxethoxy)methyl)-isocytosine. Following Lipinski's Rule of Five, 1-((2-Hydroxethoxy)methyl)-isocytosine has 2 hydrogen bond donor(s) and 3 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 1-((2-Hydroxethoxy)methyl)-isocytosine?
The CAS number of 1-((2-Hydroxethoxy)methyl)-isocytosine is 91897-92-6.
What is the molecular formula of 1-((2-Hydroxethoxy)methyl)-isocytosine?
The molecular formula of 1-((2-Hydroxethoxy)methyl)-isocytosine is C7H11N3O3.
What is the molecular weight of 1-((2-Hydroxethoxy)methyl)-isocytosine?
The molecular weight of 1-((2-Hydroxethoxy)methyl)-isocytosine is 185.08 g/mol.
Where can I buy 1-((2-Hydroxethoxy)methyl)-isocytosine?
You can request a quote for 1-((2-Hydroxethoxy)methyl)-isocytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Hydroxethoxy)methyl)-isocytosine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxethoxy)methyl)-isocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.