5'-O-Sulfamoyltubercidin
TL;DR: 5'-O-Sulfamoyltubercidin (CAS 13169-33-0) is a chemical compound with molecular formula C11H15N5O6S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Also Known As: 5'-O-Sulfamoyltubercidin, 5 -O-Sulfamoyltubercidin, J3.494.322B, 7-(5-o-sulfamoyl-, A-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
| Molecular Formula | C11H15N5O6S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0743 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 13169-33-0 |
|---|---|
| SMILES | C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O |
| InChIKey | MWBSIBGZKCNKFZ-KCGFPETGSA-N |
Product Overview
5'-O-Sulfamoyltubercidin (CAS 13169-33-0), with molecular formula C11H15N5O6S and molecular weight 345.07 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate.
Chemical Property Profile of 5'-O-Sulfamoyltubercidin
Property Insights of 5'-O-Sulfamoyltubercidin
The XLogP value of -2.5 indicates that 5'-O-Sulfamoyltubercidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting 5'-O-Sulfamoyltubercidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-O-Sulfamoyltubercidin has 4 hydrogen bond donor(s) and 10 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 5'-O-Sulfamoyltubercidin?
The CAS number of 5'-O-Sulfamoyltubercidin is 13169-33-0.
What is the molecular formula of 5'-O-Sulfamoyltubercidin?
The molecular formula of 5'-O-Sulfamoyltubercidin is C11H15N5O6S.
What is the molecular weight of 5'-O-Sulfamoyltubercidin?
The molecular weight of 5'-O-Sulfamoyltubercidin is 345.07 g/mol.
Where can I buy 5'-O-Sulfamoyltubercidin?
You can request a quote for 5'-O-Sulfamoyltubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-Sulfamoyltubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-Sulfamoyltubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.