RefChem:1062002
TL;DR: RefChem:1062002 (CAS 101756-47-2) is a chemical compound with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate chloride
Also Known As: alpha-Benzylmandelic acid 2-piperidinoethyl ester hydrochloride, 2-(1-Piperidyl)ethyl benzylphenylglycolate hydrochloride, MANDELIC ACID, alpha-BENZYL-, 2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE, 1-{2-[(2-hydroxy-2,3-diphenylpropanoyl)oxy]ethyl}piperidinium chloride, 2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate chloride
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -1.27 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 101756-47-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | PSGHVRSSMGXSKM-UHFFFAOYSA-N |
Product Overview
RefChem:1062002 (CAS 101756-47-2), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate chloride.
Chemical Property Profile of RefChem:1062002
Property Insights of RefChem:1062002
The XLogP value of -1.27 indicates that RefChem:1062002 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:1062002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062002 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:1062002?
The CAS number of RefChem:1062002 is 101756-47-2.
What is the molecular formula of RefChem:1062002?
The molecular formula of RefChem:1062002 is C22H28ClNO3.
What is the molecular weight of RefChem:1062002?
The molecular weight of RefChem:1062002 is 389.18 g/mol.
Where can I buy RefChem:1062002?
You can request a quote for RefChem:1062002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062002?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.