(+)-Isopilocarpine
TL;DR: (+)-Isopilocarpine (CAS 531-35-1) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Also Known As: isopilocarpine, (+)-Isopilocarpine, beta-Pilocarpine, 3-Isopilocarpine, b-pilocarpine
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 531-35-1 |
|---|---|
| SMILES | CC[C@@H]1[C@H](COC1=O)CC2=CN=CN2C |
| InChIKey | QCHFTSOMWOSFHM-WCBMZHEXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Isopilocarpine (CAS 531-35-1), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.
Chemical Property Profile of (+)-Isopilocarpine
Property Insights of (+)-Isopilocarpine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Isopilocarpine. With a topological polar surface area (TPSA) of 44.1 Ų, (+)-Isopilocarpine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Isopilocarpine has 0 hydrogen bond donor(s) and 3 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 (+)-Isopilocarpine?
The CAS number of (+)-Isopilocarpine is 531-35-1.
What is the molecular formula of (+)-Isopilocarpine?
The molecular formula of (+)-Isopilocarpine is C11H16N2O2.
What is the molecular weight of (+)-Isopilocarpine?
The molecular weight of (+)-Isopilocarpine is 208.12 g/mol.
Where can I buy (+)-Isopilocarpine?
You can request a quote for (+)-Isopilocarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Isopilocarpine?
Yes, KEHONG BIO provides custom synthesis services for (+)-Isopilocarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.