4-F-PyMcN
TL;DR: 4-F-PyMcN (CAS 1749-96-8) is a chemical compound with molecular formula C16H20FN2O2+ and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylpyrrolidin-1-ium-1-yl)but-2-ynyl N-(4-fluorophenyl)carbamate
Also Known As: 4-F-PyMcN, 4-F-Pymcn plus, KST-1B0995, 1-(4-{[(4-fluorophenyl)carbamoyl]oxy}but-2-yn-1-yl)-1-methylpyrrolidinium, 1-Methyl-1-(4-((4-fluorophenylcarbamoyl)oxy)butynyl)pyrrolidinium
| Molecular Formula | C16H20FN2O2+ |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.15088 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 1749-96-8 |
|---|---|
| SMILES | C[N+]1(CCCC1)CC#CCOC(=O)NC2=CC=C(C=C2)F |
| InChIKey | QPJXLGDWRGOCFK-UHFFFAOYSA-O |
Product Overview
4-F-PyMcN (CAS 1749-96-8), with molecular formula C16H20FN2O2+ and molecular weight 291.15 g/mol. IUPAC: 4-(1-methylpyrrolidin-1-ium-1-yl)but-2-ynyl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of 4-F-PyMcN
Property Insights of 4-F-PyMcN
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-F-PyMcN. With a topological polar surface area (TPSA) of 38.3 Ų, 4-F-PyMcN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-F-PyMcN 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 4-F-PyMcN?
The CAS number of 4-F-PyMcN is 1749-96-8.
What is the molecular formula of 4-F-PyMcN?
The molecular formula of 4-F-PyMcN is C16H20FN2O2+.
What is the molecular weight of 4-F-PyMcN?
The molecular weight of 4-F-PyMcN is 291.15 g/mol.
Where can I buy 4-F-PyMcN?
You can request a quote for 4-F-PyMcN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-F-PyMcN?
Yes, KEHONG BIO provides custom synthesis services for 4-F-PyMcN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.