Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride
TL;DR: Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride (CAS 42023-70-1) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.07678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride
Also Known As: 2-Pyridylmethyl mandelate acetate hydrochloride, F 1170, MANDELIC ACID, 2-PYRIDYLMETHYL ESTER, ACETATE, HYDROCHLORIDE, Methanol, 2-pyridyl-, alpha-acetoxymandelate hydrochloride, pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride
Technical Specifications
| Molecular Formula | C16H16ClNO4 |
| Molecular Weight | 321.07678 g/mol |
| XLogP | -1.15 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.07678 Da |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=[NH+]2.[Cl-] |
| InChIKey | SLNPRBQCRIJHDV-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride
Property Insights of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride
The XLogP value of -1.15 indicates that Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride. Following Lipinski's Rule of Five, Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride 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
What is the CAS number of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride?
The CAS number of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride is 42023-70-1.
What is the molecular formula of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride?
The molecular formula of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride is C16H16ClNO4.
What is the molecular weight of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride?
The molecular weight of Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride is 321.07678 g/mol.
Where can I buy Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride?
You can request a quote for Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.