![4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate structure](/static/products/690/690258-62-9.png)
4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate
TL;DR: 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate (CAS 690258-62-9) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenolate
Also Known As: 4-(2-trimethylammonioethoxycarbonyl)phenolate, 4-[2-(trimethylammonio)ethoxycarbonyl]phenolate, 4-((2-(Trimethylammonio)ethoxy)carbonyl)phenolate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 0.6232 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 351.5218 |
Chemical Identifiers
| CAS Number | 690258-62-9 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)[O-] |
Product Overview
4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate (CAS 690258-62-9), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenolate.
Chemical Property Profile of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate
Property Insights of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate
The XLogP value of 0.6232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate. With a topological polar surface area (TPSA) of 49.36 Ų, 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate has 0 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-[2-(Trimethylammonio)ethoxycarbonyl]phenolate?
The CAS number of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate is 690258-62-9.
What is the molecular formula of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate?
The molecular formula of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate is C12H17NO3.
What is the molecular weight of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate?
The molecular weight of 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate is 223.12 g/mol.
Where can I buy 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate?
You can request a quote for 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Trimethylammonio)ethoxycarbonyl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.