Thioguanine 9betaD-5'-deoxyriboside
TL;DR: Thioguanine 9betaD-5'-deoxyriboside (CAS 4680-63-1) is a chemical compound with molecular formula C10H13N5O3S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione
Also Known As: Thioguanine 9.beta.D-5'-deoxyriboside, Thioguanine 9betaD-5'-deoxyriboside, Thioguanine 5'-deoxy-.beta.-D-riboside, 2-amino-9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione, 2-Amino-9-(5-deoxypentofuranosyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C10H13N5O3S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | -0.28981 |
| Topological Polar Surface Area | 122.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.0739 |
| Heavy Atoms | 19 |
| Complexity | 683.3452 |
Chemical Identifiers
| CAS Number | 4680-63-1 |
|---|---|
| SMILES | CC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)O)O |
Product Overview
Thioguanine 9betaD-5'-deoxyriboside (CAS 4680-63-1), with molecular formula C10H13N5O3S and molecular weight 283.07 g/mol. IUPAC: 2-amino-9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione.
Chemical Property Profile of Thioguanine 9betaD-5'-deoxyriboside
Property Insights of Thioguanine 9betaD-5'-deoxyriboside
The XLogP value of -0.28981 indicates that Thioguanine 9betaD-5'-deoxyriboside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioguanine 9betaD-5'-deoxyriboside. Following Lipinski's Rule of Five, Thioguanine 9betaD-5'-deoxyriboside 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 Thioguanine 9betaD-5'-deoxyriboside?
The CAS number of Thioguanine 9betaD-5'-deoxyriboside is 4680-63-1.
What is the molecular formula of Thioguanine 9betaD-5'-deoxyriboside?
The molecular formula of Thioguanine 9betaD-5'-deoxyriboside is C10H13N5O3S.
What is the molecular weight of Thioguanine 9betaD-5'-deoxyriboside?
The molecular weight of Thioguanine 9betaD-5'-deoxyriboside is 283.07 g/mol.
Where can I buy Thioguanine 9betaD-5'-deoxyriboside?
You can request a quote for Thioguanine 9betaD-5'-deoxyriboside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioguanine 9betaD-5'-deoxyriboside?
Yes, KEHONG BIO provides custom synthesis services for Thioguanine 9betaD-5'-deoxyriboside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.