Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester
TL;DR: Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester (CAS 101711-17-5) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Also Known As: alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester, NCI60_022539, (1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate, 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate A, 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate B
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O |
| InChIKey | MWQQUDKRJVZOJN-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester
Property Insights of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester has 1 hydrogen bond donor(s) and 4 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, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester?
The CAS number of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester is 101711-17-5.
What is the molecular formula of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester?
The molecular formula of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester is C16H19NO3.
What is the molecular weight of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester?
The molecular weight of Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester is 273.1365 g/mol.
Where can I buy Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester?
You can request a quote for Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.