alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride
TL;DR: alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride (CAS 13118-10-0) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: AHR 376, alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride, 1-Methyl-3-pyrrolidyl alpha-phenylcyclopentaneglycolate hydrochloride, MANDELIC ACID, alpha-CYCLOPENTYL-, 1-METHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE, Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-methyl-3-pyrrolidinyl ester, hydrochloride
| Molecular Formula | C18H26ClNO3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.16013 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 13118-10-0 |
|---|---|
| SMILES | C[NH+]1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | IUFZTNHOGFUUBG-UHFFFAOYSA-N |
Product Overview
alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride (CAS 13118-10-0), with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol. IUPAC: (1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride
Property Insights of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride
The XLogP value of -2.1 indicates that alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl 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, alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl 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 alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride?
The CAS number of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride is 13118-10-0.
What is the molecular formula of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride?
The molecular formula of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride is C18H26ClNO3.
What is the molecular weight of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride?
The molecular weight of alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride is 339.16 g/mol.
Where can I buy alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride?
You can request a quote for alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyclopentylmandelic acid 1-methyl-3-pyrrolidinyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.