Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)
TL;DR: Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) (CAS 13076-44-3) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzylpyridin-1-ium-3-carboxylate chloride
Also Known As: 1-benzyl-3-(ethoxycarbonyl)pyridinium chloride, Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride, Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1), ethyl 1-benzylpyridin-1-ium-3-carboxylate chloride, 1-BENZYL-3-(ETHOXYCARBONYL)PYRIDIN-1-IUM CHLORIDE
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 13076-44-3 |
|---|---|
| SMILES | CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-] |
| InChIKey | XKWWHOUTYAENKC-UHFFFAOYSA-M |
Product Overview
Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) (CAS 13076-44-3), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: ethyl 1-benzylpyridin-1-ium-3-carboxylate chloride.
Chemical Property Profile of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)
Property Insights of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)
The XLogP value of -0.8 indicates that Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) 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 Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The CAS number of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) is 13076-44-3.
What is the molecular formula of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The molecular formula of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) is C15H16ClNO2.
What is the molecular weight of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
The molecular weight of Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) is 277.09 g/mol.
Where can I buy Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
You can request a quote for Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(ethoxycarbonyl)-1-(phenylmethyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.