Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
TL;DR: Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride (CAS 101756-45-0) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride
Also Known As: 1-Methyl-4-piperidyl benzylphenylglycolate hydrochloride, alpha-Benzylmandelic acid 1-methyl-4-piperidyl ester hydrochloride, MANDELIC ACID, alpha-BENZYL-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride, (1-methylpiperidin-1-ium-4-yl)2-hydroxy-2,3-diphenylpropanoate
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 101756-45-0 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)OC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | PRIQZSULWYRHSK-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride (CAS 101756-45-0), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride.
Chemical Property Profile of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
Property Insights of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
The XLogP value of -1.66 indicates that Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl 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, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride?
The CAS number of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride is 101756-45-0.
What is the molecular formula of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride?
The molecular formula of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride is C21H26ClNO3.
What is the molecular weight of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride?
The molecular weight of Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride is 375.16 g/mol.
Where can I buy Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride?
You can request a quote for Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl 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, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.