RefChem:1088814
TL;DR: RefChem:1088814 (CAS 101710-93-4) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride
Also Known As: alpha-Cyclopropylmandelic acid (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester HCl, Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride, (1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclopropyl-2-hydroxy-2-phenylacetate chloride, MANDELIC ACID, alpha-CYCLOPROPYL-, (1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDYL)METHYL, (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride
| Molecular Formula | C18H24ClNO3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | -2.32 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.14447 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 101710-93-4 |
|---|---|
| SMILES | C[NH+]1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | VNKAUVLRVFHBCJ-UHFFFAOYSA-N |
Product Overview
RefChem:1088814 (CAS 101710-93-4), with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol. IUPAC: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1088814
Property Insights of RefChem:1088814
The XLogP value of -2.32 indicates that RefChem:1088814 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:1088814 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088814 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:1088814?
The CAS number of RefChem:1088814 is 101710-93-4.
What is the molecular formula of RefChem:1088814?
The molecular formula of RefChem:1088814 is C18H24ClNO3.
What is the molecular weight of RefChem:1088814?
The molecular weight of RefChem:1088814 is 337.14 g/mol.
Where can I buy RefChem:1088814?
You can request a quote for RefChem:1088814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.