Tocladesine
TL;DR: Tocladesine (CAS 41941-56-4) is a chemical compound with molecular formula C10H11ClN5O6P and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Also Known As: Tocladesine, 8-Chloro-cAMP, 8-Cl-cAMP, Tocladesina, tocladesinum
| Molecular Formula | C10H11ClN5O6P |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.01355 |
| Heavy Atoms | 23 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 41941-56-4 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O |
| InChIKey | CLLFEJLEDNXZNR-UUOKFMHZSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocladesine (CAS 41941-56-4), with molecular formula C10H11ClN5O6P and molecular weight 363.01 g/mol. IUPAC: (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
Chemical Property Profile of Tocladesine
Property Insights of Tocladesine
The XLogP value of -1.6 indicates that Tocladesine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Tocladesine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tocladesine has 3 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 Tocladesine?
The CAS number of Tocladesine is 41941-56-4.
What is the molecular formula of Tocladesine?
The molecular formula of Tocladesine is C10H11ClN5O6P.
What is the molecular weight of Tocladesine?
The molecular weight of Tocladesine is 363.01 g/mol.
Where can I buy Tocladesine?
You can request a quote for Tocladesine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocladesine?
Yes, KEHONG BIO provides custom synthesis services for Tocladesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.