RefChem:1055190
TL;DR: RefChem:1055190 (CAS 101710-77-4) is a chemical compound with molecular formula C21H32ClNO3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: alpha-Cyclopentylmandelic acid 1-butyl-3-pyrrolidinyl ester hydrochloride, MANDELIC ACID, alpha-CYCLOPENTYL-, 1-BUTYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE, (1-butylpyrrolidin-1-ium-3-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate, (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetatechloride
| Molecular Formula | C21H32ClNO3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.20706 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 101710-77-4 |
|---|---|
| SMILES | CCCC[NH+]1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | NJJMKEDPPMDESA-UHFFFAOYSA-N |
Product Overview
RefChem:1055190 (CAS 101710-77-4), with molecular formula C21H32ClNO3 and molecular weight 381.21 g/mol. IUPAC: (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1055190
Property Insights of RefChem:1055190
The XLogP value of -0.93 indicates that RefChem:1055190 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, RefChem:1055190 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055190 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 RefChem:1055190?
The CAS number of RefChem:1055190 is 101710-77-4.
What is the molecular formula of RefChem:1055190?
The molecular formula of RefChem:1055190 is C21H32ClNO3.
What is the molecular weight of RefChem:1055190?
The molecular weight of RefChem:1055190 is 381.21 g/mol.
Where can I buy RefChem:1055190?
You can request a quote for RefChem:1055190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055190?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.