RefChem:1049273
TL;DR: RefChem:1049273 (CAS 101711-01-7) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.16 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-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
Also Known As: Mandelic acid, alpha-isopropyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride, 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl isopropylphenylglycolate hydrochloride, (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate;chloride, (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride, (1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)
| Molecular Formula | C18H26ClNO3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.16013 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 101711-01-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCC[NH+](C2)C)O.[Cl-] |
| InChIKey | PRIXSTVGPLZOTP-UHFFFAOYSA-N |
Product Overview
RefChem:1049273 (CAS 101711-01-7), with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol. IUPAC: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride.
Chemical Property Profile of RefChem:1049273
Property Insights of RefChem:1049273
The XLogP value of -2.08 indicates that RefChem:1049273 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:1049273 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049273 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:1049273?
The CAS number of RefChem:1049273 is 101711-01-7.
What is the molecular formula of RefChem:1049273?
The molecular formula of RefChem:1049273 is C18H26ClNO3.
What is the molecular weight of RefChem:1049273?
The molecular weight of RefChem:1049273 is 339.16 g/mol.
Where can I buy RefChem:1049273?
You can request a quote for RefChem:1049273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049273?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.