1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide
TL;DR: 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide (CAS 85303-90-8) is a chemical compound with molecular formula C11H13N5O5S and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxamide
Also Known As: 1-Dtpgpu, KST-1A8571, 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide, beta-D-Glucopyranosiduronamide, 1H-purin-6-yl 1-thio-, 7H-purin-6-yl 1-thio-
| Molecular Formula | C11H13N5O5S |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06375 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 85303-90-8 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)N)O)O)O |
| InChIKey | UXPQSTNGTAGTKO-DEGUGSHBSA-N |
Product Overview
1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide (CAS 85303-90-8), with molecular formula C11H13N5O5S and molecular weight 327.06 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxamide.
Chemical Property Profile of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide
Property Insights of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide
The XLogP value of -1.6 indicates that 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide has 5 hydrogen bond donor(s) and 9 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-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide?
The CAS number of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide is 85303-90-8.
What is the molecular formula of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide?
The molecular formula of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide is C11H13N5O5S.
What is the molecular weight of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide?
The molecular weight of 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide is 327.06 g/mol.
Where can I buy 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide?
You can request a quote for 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Deoxy-1-(6-thiopurinyl)-beta-glucopyranosiduronamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.