![6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one structure](/static/products/5345/53458-26-7.webp)
6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one
TL;DR: 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one (CAS 53458-26-7) is a chemical compound with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one
Also Known As: 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one, 6-Amino-9-(5-S-ethyl-5-thiopentofuranosyl)-1,9-dihydro-2H-purin-2-one
| Molecular Formula | C12H17N5O4S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10013 |
| Heavy Atoms | 22 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 53458-26-7 |
|---|---|
| SMILES | CCSCC1C(C(C(O1)N2C=NC3=C(NC(=O)N=C32)N)O)O |
| InChIKey | QBOACTZDIJFETM-UHFFFAOYSA-N |
Product Overview
6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one (CAS 53458-26-7), with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol. IUPAC: 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one.
Chemical Property Profile of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one
Property Insights of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one
The XLogP value of -1.8 indicates that 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one 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 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one?
The CAS number of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one is 53458-26-7.
What is the molecular formula of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one?
The molecular formula of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one is C12H17N5O4S.
What is the molecular weight of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one?
The molecular weight of 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one is 327.10 g/mol.
Where can I buy 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one?
You can request a quote for 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.