2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone
TL;DR: 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone (CAS 101686-76-4) is a chemical compound with molecular formula C43H41Br4NO7S and molecular weight 1030.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
Also Known As: 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone, 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1, 3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethan-1-one (1/1), 3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--2-{(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethan-1-one (1/1)
| Molecular Formula | C43H41Br4NO7S |
|---|---|
| Molecular Weight | 1030.93 g/mol |
| LogP | 11.01144 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 1030.9337 |
| Heavy Atoms | 56 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 101686-76-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br.CN1[C@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O |
| InChIKey | PNZXTHVTWKIOAM-ODYJERINSA-N |
Product Overview
2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone (CAS 101686-76-4), with molecular formula C43H41Br4NO7S and molecular weight 1030.93 g/mol. IUPAC: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone.
Chemical Property Profile of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone
Property Insights of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone
The XLogP value of 11.01144 indicates that 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone?
The CAS number of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone is 101686-76-4.
What is the molecular formula of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone?
The molecular formula of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone is C43H41Br4NO7S.
What is the molecular weight of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone?
The molecular weight of 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone is 1030.93 g/mol.
Where can I buy 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone?
You can request a quote for 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.