毛果芸香碱盐酸盐
TL;DR: 毛果芸香碱盐酸盐 (CAS 54-71-7) is a chemical compound with molecular formula C11H17ClN2O2 and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毛果芸香碱盐酸盐
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride
Also Known As: Pilocarpine hydrochloride, Pilocarpine HCl, Almocarpine, Salagen, (+)-Pilocarpine hydrochloride
| Molecular Formula | C11H17ClN2O2 |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.09785 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
| Solubility | >36.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 54-71-7 |
|---|---|
| SMILES | CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.Cl |
| InChIKey | RNAICSBVACLLGM-GNAZCLTHSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
毛果芸香碱盐酸盐 (CAS 54-71-7), with molecular formula C11H17ClN2O2 and molecular weight 244.10 g/mol. IUPAC: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride.
Chemical Property Profile of 毛果芸香碱盐酸盐
Property Insights of 毛果芸香碱盐酸盐
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 毛果芸香碱盐酸盐. With a topological polar surface area (TPSA) of 44.1 Ų, 毛果芸香碱盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 毛果芸香碱盐酸盐 has 1 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 毛果芸香碱盐酸盐?
The CAS number of 毛果芸香碱盐酸盐 is 54-71-7.
What is the molecular formula of 毛果芸香碱盐酸盐?
The molecular formula of 毛果芸香碱盐酸盐 is C11H17ClN2O2.
What is the molecular weight of 毛果芸香碱盐酸盐?
The molecular weight of 毛果芸香碱盐酸盐 is 244.10 g/mol.
Where can I buy 毛果芸香碱盐酸盐?
You can request a quote for 毛果芸香碱盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毛果芸香碱盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 毛果芸香碱盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.