Einecs 216-915-5
TL;DR: Einecs 216-915-5 (CAS 1696-70-4) is a chemical compound with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride
Also Known As: EINECS 216-915-5, 3,4-Bis(acetoxymethyl)-5-hydroxy-6-methylpyridinium chloride, [3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride
| Molecular Formula | C12H16ClNO5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | -2.6531 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0717 |
| Heavy Atoms | 19 |
| Complexity | 475.4327 |
Chemical Identifiers
| CAS Number | 1696-70-4 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=[N+](C=C1)C)O)COC(=O)C.[Cl-] |
Product Overview
Einecs 216-915-5 (CAS 1696-70-4), with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol. IUPAC: [3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride.
Chemical Property Profile of Einecs 216-915-5
Property Insights of Einecs 216-915-5
The XLogP value of -2.6531 indicates that Einecs 216-915-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 216-915-5. Following Lipinski's Rule of Five, Einecs 216-915-5 has 1 hydrogen bond donor(s) and 5 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 Einecs 216-915-5?
The CAS number of Einecs 216-915-5 is 1696-70-4.
What is the molecular formula of Einecs 216-915-5?
The molecular formula of Einecs 216-915-5 is C12H16ClNO5.
What is the molecular weight of Einecs 216-915-5?
The molecular weight of Einecs 216-915-5 is 289.07 g/mol.
Where can I buy Einecs 216-915-5?
You can request a quote for Einecs 216-915-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 216-915-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 216-915-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.