N-methylcassine
TL;DR: N-methylcassine (CAS 75664-18-5) is a chemical compound with molecular formula C19H37NO2 and molecular weight 311.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(2S,5S,6S)-5-hydroxy-1,6-dimethylpiperidin-2-yl]dodecan-2-one
Also Known As: N-methylcassine, 2-Dodecanone, 12-(5-hydroxy-1,6-dimethyl-2-piperidinyl)-, (2S-(2alpha,5alpha,6alpha))-, 12-[(2S,5S,6S)-5-hydroxy-1,6-dimethylpiperidin-2-yl]dodecan-2-one
| Molecular Formula | C19H37NO2 |
|---|---|
| Molecular Weight | 311.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.28244 |
| Heavy Atoms | 22 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 75664-18-5 |
|---|---|
| SMILES | C[C@H]1[C@H](CC[C@@H](N1C)CCCCCCCCCCC(=O)C)O |
| InChIKey | AHRLVMHWPCQOGN-FHWLQOOXSA-N |
Product Overview
N-methylcassine (CAS 75664-18-5), with molecular formula C19H37NO2 and molecular weight 311.28 g/mol. IUPAC: 12-[(2S,5S,6S)-5-hydroxy-1,6-dimethylpiperidin-2-yl]dodecan-2-one.
Chemical Property Profile of N-methylcassine
Property Insights of N-methylcassine
The XLogP value of 4.6 indicates that N-methylcassine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, N-methylcassine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methylcassine has 1 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 N-methylcassine?
The CAS number of N-methylcassine is 75664-18-5.
What is the molecular formula of N-methylcassine?
The molecular formula of N-methylcassine is C19H37NO2.
What is the molecular weight of N-methylcassine?
The molecular weight of N-methylcassine is 311.28 g/mol.
Where can I buy N-methylcassine?
You can request a quote for N-methylcassine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methylcassine?
Yes, KEHONG BIO provides custom synthesis services for N-methylcassine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.