12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
TL;DR: 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone (CAS 5227-24-7) is a chemical compound with molecular formula C18H35NO2 and molecular weight 297.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
Also Known As: Cassine, Cassine[Alkaloid], (-)-Cassine, (-)-casseine, 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
| Molecular Formula | C18H35NO2 |
|---|---|
| Molecular Weight | 297.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 297.26678 |
| Heavy Atoms | 21 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 5227-24-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCCC(=O)C)O |
| InChIKey | QPRMGHKASRLPJP-FGTMMUONSA-N |
Product Overview
12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone (CAS 5227-24-7), with molecular formula C18H35NO2 and molecular weight 297.27 g/mol. IUPAC: 12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one.
Chemical Property Profile of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
Property Insights of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
The XLogP value of 4.1 indicates that 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone has 2 hydrogen bond donor(s) and 3 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 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone?
The CAS number of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone is 5227-24-7.
What is the molecular formula of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone?
The molecular formula of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone is C18H35NO2.
What is the molecular weight of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone?
The molecular weight of 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone is 297.27 g/mol.
Where can I buy 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone?
You can request a quote for 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone?
Yes, KEHONG BIO provides custom synthesis services for 12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.