Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester
TL;DR: Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester (CAS 101756-58-5) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2,5-dihydropyrrol-2-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Also Known As: 3-(1-Methyl-3-pyrroline)methyl phenyl(1-cyclopentenyl)glycolate, MANDELIC ACID, alpha-(1-CYCLOPENTENYL)-, 1-METHYL-3-PYRROLIN-2-YLMETHYL ESTER, 3-(1-Methyl-3-pyrroline)methylphenyl(1-cyclopentenyl)glycolate, (1-Methyl-2,5-dihydropyrrol-2-yl)methyl2-cyclopenten-1-yl-2-hydroxy-2-phenylacetate, (1-Methyl-2,5-dihydro-1H-pyrrol-2-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)(phenyl)acetate
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 101756-58-5 |
|---|---|
| SMILES | CN1CC=CC1COC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O |
| InChIKey | RWTLYBHKSFYKKK-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester (CAS 101756-58-5), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (1-methyl-2,5-dihydropyrrol-2-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester
Property Insights of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl 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
Frequently Asked Questions
What is the CAS number of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester?
The CAS number of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester is 101756-58-5.
What is the molecular formula of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester?
The molecular formula of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester is C19H23NO3.
What is the molecular weight of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester?
The molecular weight of Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester is 313.17 g/mol.
Where can I buy Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester?
You can request a quote for Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester 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-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.