Ateganosine monohydrate
TL;DR: Ateganosine monohydrate (CAS 64039-27-6) is a chemical compound with molecular formula C10H15N5O4S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione;hydrate
Also Known As: beta-TGdR monohydrate, beta-TGdR, Ateganosine monohydrate, 6-Thio-dG, beta-dioxythioguanosine
| Molecular Formula | C10H15N5O4S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | -1.11291 |
| Topological Polar Surface Area | 153.71 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.08447 |
| Heavy Atoms | 20 |
| Complexity | 671.20197 |
Chemical Identifiers
| CAS Number | 64039-27-6 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O.O |
Product Overview
Ateganosine monohydrate (CAS 64039-27-6), with molecular formula C10H15N5O4S and molecular weight 301.08 g/mol. IUPAC: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione;hydrate.
Chemical Property Profile of Ateganosine monohydrate
Property Insights of Ateganosine monohydrate
The XLogP value of -1.11291 indicates that Ateganosine monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.71 Ų indicates high polarity, suggesting Ateganosine monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ateganosine monohydrate has 4 hydrogen bond donor(s) and 7 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 Ateganosine monohydrate?
The CAS number of Ateganosine monohydrate is 64039-27-6.
What is the molecular formula of Ateganosine monohydrate?
The molecular formula of Ateganosine monohydrate is C10H15N5O4S.
What is the molecular weight of Ateganosine monohydrate?
The molecular weight of Ateganosine monohydrate is 301.08 g/mol.
Where can I buy Ateganosine monohydrate?
You can request a quote for Ateganosine monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ateganosine monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Ateganosine monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.