Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride
TL;DR: Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride (CAS 101711-03-9) is a chemical compound with molecular formula C19H28ClNO3 and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azoniabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
Also Known As: 2-Quinuclidinemethylene-alpha-isopropyl-alpha-phenylglycolate hydrochloride, MANDELIC ACID, alpha-ISOPROPYL-, 2-QUINUCLIDINYLMETHYL ESTER, HYDROCHLORIDE, 1-Azoniabicyclo[2.2.2]octan-7-ylmethyl2-hydroxy-3-methyl-2-phenylbutanoate chloride, 1-azoniabicyclo[2.2.2]octan-2-ylmethyl2-hydroxy-3-methyl-2-phenylbutanoate, 1-azoniabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
| Molecular Formula | C19H28ClNO3 |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.17578 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 101711-03-9 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCC2CC3CC[NH+]2CC3)O.[Cl-] |
| InChIKey | XMCKOTGZIXIRCY-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride (CAS 101711-03-9), with molecular formula C19H28ClNO3 and molecular weight 353.18 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride.
Chemical Property Profile of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride
Property Insights of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride
The XLogP value of -1.86 indicates that Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl 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-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl 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-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride?
The CAS number of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride is 101711-03-9.
What is the molecular formula of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride?
The molecular formula of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride is C19H28ClNO3.
What is the molecular weight of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride?
The molecular weight of Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride is 353.18 g/mol.
Where can I buy Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride?
You can request a quote for Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl 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-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.