Thiopilocarpine phosphate
TL;DR: Thiopilocarpine phosphate (CAS 13756-40-6) is a chemical compound with molecular formula C11H19N2O5PS and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Thiopilocarpine phosphate
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
Also Known As: ENS-163 phosphate, Thiopilocarpine, Thiopilocarpine phosphate, SDZ-ENS-163, Ens 213-163
| Molecular Formula | C11H19N2O5PS |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 0.9498 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.07523 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 13756-40-6 |
|---|---|
| SMILES | CC[C@H]1[C@H](CSC1=O)CC2=CN=CN2C.OP(=O)(O)O |
| InChIKey | PSRPKRDUWXFVQS-GNAZCLTHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiopilocarpine phosphate (CAS 13756-40-6), with molecular formula C11H19N2O5PS and molecular weight 322.08 g/mol. IUPAC: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid.
Chemical Property Profile of Thiopilocarpine phosphate
Property Insights of Thiopilocarpine phosphate
The XLogP value of 0.9498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiopilocarpine phosphate. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiopilocarpine phosphate. Following Lipinski's Rule of Five, 硫毛果芸香碱磷酸酯 has 3 hydrogen bond donor(s) and 7 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 硫毛果芸香碱磷酸酯?
The CAS number of 硫毛果芸香碱磷酸酯 is 13756-40-6.
What is the molecular formula of 硫毛果芸香碱磷酸酯?
The molecular formula of 硫毛果芸香碱磷酸酯 is C11H19N2O5PS.
What is the molecular weight of 硫毛果芸香碱磷酸酯?
The molecular weight of 硫毛果芸香碱磷酸酯 is 322.08 g/mol.
Where can I buy 硫毛果芸香碱磷酸酯?
You can request a quote for 硫毛果芸香碱磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫毛果芸香碱磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 硫毛果芸香碱磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.