Mandelic acid, 2-pyridylmethyl ester, hydrochloride
TL;DR: Mandelic acid, 2-pyridylmethyl ester, hydrochloride (CAS 42023-76-7) is a chemical compound with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-1-ium-2-ylmethyl 2-hydroxy-2-phenylacetate chloride
Also Known As: 2-Pyridylmethyl mandelate hydrochloride, Methanol, 2-pyridyl-, mandelate hydrochloride, MANDELIC ACID, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE, F 1169, Benzeneacetic acid, alpha-hydroxy-, (2-pyridylmethyl) ester, hydrochloride
| Molecular Formula | C14H14ClNO3 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | -1.72 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06622 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 42023-76-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=[NH+]2)O.[Cl-] |
| InChIKey | ZVQGPOGFFMOISW-UHFFFAOYSA-N |
Product Overview
Mandelic acid, 2-pyridylmethyl ester, hydrochloride (CAS 42023-76-7), with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol. IUPAC: pyridin-1-ium-2-ylmethyl 2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of Mandelic acid, 2-pyridylmethyl ester, hydrochloride
Property Insights of Mandelic acid, 2-pyridylmethyl ester, hydrochloride
The XLogP value of -1.72 indicates that Mandelic acid, 2-pyridylmethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, 2-pyridylmethyl ester, hydrochloride. Following Lipinski's Rule of Five, Mandelic acid, 2-pyridylmethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 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 Mandelic acid, 2-pyridylmethyl ester, hydrochloride?
The CAS number of Mandelic acid, 2-pyridylmethyl ester, hydrochloride is 42023-76-7.
What is the molecular formula of Mandelic acid, 2-pyridylmethyl ester, hydrochloride?
The molecular formula of Mandelic acid, 2-pyridylmethyl ester, hydrochloride is C14H14ClNO3.
What is the molecular weight of Mandelic acid, 2-pyridylmethyl ester, hydrochloride?
The molecular weight of Mandelic acid, 2-pyridylmethyl ester, hydrochloride is 279.07 g/mol.
Where can I buy Mandelic acid, 2-pyridylmethyl ester, hydrochloride?
You can request a quote for Mandelic acid, 2-pyridylmethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, 2-pyridylmethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, 2-pyridylmethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.