Pilocarpidine
TL;DR: Pilocarpidine (CAS 127-67-3) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one
Also Known As: Pilocarpidine, demethylmedicalpin, N-Demethylpilocarpine, (3S,4R)-3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one, 3-Ethyl-4-[(1H-imidazol-5-yl)methyl]oxolan-2-one
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 127-67-3 |
|---|---|
| SMILES | CC[C@H]1[C@H](COC1=O)CC2=CN=CN2 |
| InChIKey | QVRFSYRSSMDRPS-CBAPKCEASA-N |
Product Overview
Pilocarpidine (CAS 127-67-3), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: (3S,4R)-3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one.
Chemical Property Profile of Pilocarpidine
Property Insights of Pilocarpidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pilocarpidine. With a topological polar surface area (TPSA) of 55.0 Ų, Pilocarpidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pilocarpidine 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 Pilocarpidine?
The CAS number of Pilocarpidine is 127-67-3.
What is the molecular formula of Pilocarpidine?
The molecular formula of Pilocarpidine is C10H14N2O2.
What is the molecular weight of Pilocarpidine?
The molecular weight of Pilocarpidine is 194.11 g/mol.
Where can I buy Pilocarpidine?
You can request a quote for Pilocarpidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pilocarpidine?
Yes, KEHONG BIO provides custom synthesis services for Pilocarpidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.