艾氯胺酮
TL;DR: 艾氯胺酮 (CAS 33643-47-9) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾氯胺酮
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Also Known As: Esketamine, l-Ketamine, (S)-Ketamine, (-)-Ketamine, S-Ketamine
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 33643-47-9 |
|---|---|
| SMILES | CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl |
| InChIKey | YQEZLKZALYSWHR-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
艾氯胺酮 (CAS 33643-47-9), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.
Chemical Property Profile of 艾氯胺酮
Property Insights of 艾氯胺酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 艾氯胺酮. With a topological polar surface area (TPSA) of 29.1 Ų, 艾氯胺酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 艾氯胺酮 has 1 hydrogen bond donor(s) and 2 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 艾氯胺酮?
The CAS number of 艾氯胺酮 is 33643-47-9.
What is the molecular formula of 艾氯胺酮?
The molecular formula of 艾氯胺酮 is C13H16ClNO.
What is the molecular weight of 艾氯胺酮?
The molecular weight of 艾氯胺酮 is 237.09 g/mol.
Where can I buy 艾氯胺酮?
You can request a quote for 艾氯胺酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾氯胺酮?
Yes, KEHONG BIO provides custom synthesis services for 艾氯胺酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.