RefChem:1049223
TL;DR: RefChem:1049223 (CAS 101756-55-2) is a chemical compound with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclobutyl-, 1,4-dimethyl-1,2,3,6-tetrahydro-3-pyridylmethyl ester, hydrochloride, (1,4-Dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl2-cyclobutyl-2-hydroxy-2-phenylacetate chloride, MANDELIC ACID, alpha-CYCLOBUTYL-, 1,4-DIMETHYL-1,2,3,6-TETRAHYDRO-3-PYRIDYLMETHY, (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride, (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl2-cyclobutyl-2-hydroxy-2-phenylacetate
| Molecular Formula | C20H28ClNO3 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | -1.69 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.17578 |
| Heavy Atoms | 25 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 101756-55-2 |
|---|---|
| SMILES | CC1=CC[NH+](CC1COC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C.[Cl-] |
| InChIKey | QYUMWZNOKQMUPH-UHFFFAOYSA-N |
Product Overview
RefChem:1049223 (CAS 101756-55-2), with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol. IUPAC: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1049223
Property Insights of RefChem:1049223
The XLogP value of -1.69 indicates that RefChem:1049223 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:1049223 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049223 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:1049223?
The CAS number of RefChem:1049223 is 101756-55-2.
What is the molecular formula of RefChem:1049223?
The molecular formula of RefChem:1049223 is C20H28ClNO3.
What is the molecular weight of RefChem:1049223?
The molecular weight of RefChem:1049223 is 365.18 g/mol.
Where can I buy RefChem:1049223?
You can request a quote for RefChem:1049223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049223?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.