9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-
TL;DR: 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- (CAS 78131-47-2) is a chemical compound with molecular formula C11H13N5O4S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbothioamide
Also Known As: 9-Pentofuranosyl-9H-purine-6-carbothioamide, 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-, 9H-Purine-6-carbothioamide, 9-.beta.-D-ribofuranosyl-, 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbothioamide
| Molecular Formula | C11H13N5O4S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | -1.928 |
| Topological Polar Surface Area | 139.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.06882 |
| Heavy Atoms | 21 |
| Complexity | 692.30347 |
Chemical Identifiers
| CAS Number | 78131-47-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C(=S)N |
Product Overview
9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- (CAS 78131-47-2), with molecular formula C11H13N5O4S and molecular weight 311.07 g/mol. IUPAC: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbothioamide.
Chemical Property Profile of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-
Property Insights of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-
The XLogP value of -1.928 indicates that 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-. Following Lipinski's Rule of Five, 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- has 4 hydrogen bond donor(s) and 8 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 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-?
The CAS number of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- is 78131-47-2.
What is the molecular formula of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-?
The molecular formula of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- is C11H13N5O4S.
What is the molecular weight of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-?
The molecular weight of 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- is 311.07 g/mol.
Where can I buy 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-?
You can request a quote for 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-carbothioamide, 9-beta-D-ribofuranosyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.