RefChem:1049277
TL;DR: RefChem:1049277 (CAS 101710-87-6) is a chemical compound with molecular formula C19H26ClNO3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2,5-dihydro-1H-pyrrol-1-ium-3-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclopentyl-, (1-methyl-3-pyrrolin-3-yl)methyl ester, hydrochloride, 3-(1-Methyl-3-pyrroline)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride, (1-methyl-2,5-dihydro-1H-pyrrol-1-ium-3-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, (1-Methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1), 3-({[cyclopentyl(hydroxy)phenylacetyl]oxy}methyl)-1-methyl-2,5-dihydro-1h-pyrrolium chloride
| Molecular Formula | C19H26ClNO3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | -1.93 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.16013 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 101710-87-6 |
|---|---|
| SMILES | C[NH+]1CC=C(C1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | MFPSUWFQXGJJFO-UHFFFAOYSA-N |
Product Overview
RefChem:1049277 (CAS 101710-87-6), with molecular formula C19H26ClNO3 and molecular weight 351.16 g/mol. IUPAC: (1-methyl-2,5-dihydro-1H-pyrrol-1-ium-3-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1049277
Property Insights of RefChem:1049277
The XLogP value of -1.93 indicates that RefChem:1049277 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:1049277 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049277 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:1049277?
The CAS number of RefChem:1049277 is 101710-87-6.
What is the molecular formula of RefChem:1049277?
The molecular formula of RefChem:1049277 is C19H26ClNO3.
What is the molecular weight of RefChem:1049277?
The molecular weight of RefChem:1049277 is 351.16 g/mol.
Where can I buy RefChem:1049277?
You can request a quote for RefChem:1049277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049277?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.