9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-
TL;DR: 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- (CAS 56964-83-1) is a chemical compound with molecular formula C14H21N5O4S and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-6-butan-2-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: NCIOpen2_007571, PC 126, 9H-Purin-2-amine, 6-[(1-methylpropyl)thio]-9-.beta.-D-ribofuranosyl, 6-[(Butan-2-yl)sulfanyl]-9-pentofuranosyl-9H-purin-2-amine, 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-
| Molecular Formula | C14H21N5O4S |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.13144 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 56964-83-1 |
|---|---|
| SMILES | CCC(C)SC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N |
| InChIKey | KHYRAJQLUJBXMT-UHFFFAOYSA-N |
Product Overview
9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- (CAS 56964-83-1), with molecular formula C14H21N5O4S and molecular weight 355.13 g/mol. IUPAC: 2-(2-amino-6-butan-2-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-
Property Insights of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-. The TPSA of 165.0 Ų indicates high polarity, suggesting 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- has 4 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 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-?
The CAS number of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- is 56964-83-1.
What is the molecular formula of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-?
The molecular formula of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- is C14H21N5O4S.
What is the molecular weight of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-?
The molecular weight of 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- is 355.13 g/mol.
Where can I buy 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-?
You can request a quote for 9H-Purine, 2-amino-6-(sec-butylthio)-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, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 2-amino-6-(sec-butylthio)-9-beta-D-ribofuranosyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.