ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate
TL;DR: ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate (CAS 22928-85-4) is a chemical compound with molecular formula C9H13N2O2+ and molecular weight 181.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate
Also Known As: ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate, 4-Methyl-1-ethoxycarbonylimino-pyridinium-ylid, 1-[(ETHOXYCARBONYL)AMINO]-4-METHYLPYRIDIN-1-IUM
| Molecular Formula | C9H13N2O2+ |
|---|---|
| Molecular Weight | 181.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0977 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 22928-85-4 |
|---|---|
| SMILES | CCOC(=O)N[N+]1=CC=C(C=C1)C |
| InChIKey | WCYAZUFOBJBUTC-UHFFFAOYSA-O |
Product Overview
ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate (CAS 22928-85-4), with molecular formula C9H13N2O2+ and molecular weight 181.10 g/mol. IUPAC: ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate.
Chemical Property Profile of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate
Property Insights of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate. With a topological polar surface area (TPSA) of 42.2 Ų, ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate 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 ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate?
The CAS number of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate is 22928-85-4.
What is the molecular formula of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate?
The molecular formula of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate is C9H13N2O2+.
What is the molecular weight of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate?
The molecular weight of ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate is 181.10 g/mol.
Where can I buy ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate?
You can request a quote for ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.