吡啶鎓氢氧化物内盐乙酯
TL;DR: 吡啶鎓氢氧化物内盐乙酯 (CAS 23025-55-0) is a chemical compound with molecular formula C8H11N2O2+ and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡啶鎓氢氧化物内盐乙酯
ethyl N-pyridin-1-ium-1-ylcarbamate
Also Known As: pyridinium N-carbethoxyamide, Pyridinium, hydroxide, inner salt, ethyl N-pyridin-1-ium-1-ylcarbamate, ETHYL N-PYRIDIN-1-YLCARBAMATE, Pyridinium, hydroxide, inner salt, ethyl ester
| Molecular Formula | C8H11N2O2+ |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.08205 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 23025-55-0 |
|---|---|
| SMILES | CCOC(=O)N[N+]1=CC=CC=C1 |
| InChIKey | KTTPWAJPBLIZPI-UHFFFAOYSA-O |
Product Overview
吡啶鎓氢氧化物内盐乙酯 (CAS 23025-55-0), with molecular formula C8H11N2O2+ and molecular weight 167.08 g/mol. IUPAC: ethyl N-pyridin-1-ium-1-ylcarbamate.
Chemical Property Profile of 吡啶鎓氢氧化物内盐乙酯
Property Insights of 吡啶鎓氢氧化物内盐乙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡啶鎓氢氧化物内盐乙酯. With a topological polar surface area (TPSA) of 42.2 Ų, 吡啶鎓氢氧化物内盐乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡啶鎓氢氧化物内盐乙酯 has 1 hydrogen bond donor(s) and 2 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 吡啶鎓氢氧化物内盐乙酯?
The CAS number of 吡啶鎓氢氧化物内盐乙酯 is 23025-55-0.
What is the molecular formula of 吡啶鎓氢氧化物内盐乙酯?
The molecular formula of 吡啶鎓氢氧化物内盐乙酯 is C8H11N2O2+.
What is the molecular weight of 吡啶鎓氢氧化物内盐乙酯?
The molecular weight of 吡啶鎓氢氧化物内盐乙酯 is 167.08 g/mol.
Where can I buy 吡啶鎓氢氧化物内盐乙酯?
You can request a quote for 吡啶鎓氢氧化物内盐乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡啶鎓氢氧化物内盐乙酯?
Yes, KEHONG BIO provides custom synthesis services for 吡啶鎓氢氧化物内盐乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.