反式-2-萘烷酮
TL;DR: 反式-2-萘烷酮 (CAS 16021-08-2) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
反式-2-萘烷酮
(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Also Known As: trans-2-Decalone, 2-Decalone, trans-, trans-Octahydronaphthalene-2(1H)-one, (4aR,8aR)-2-Decalone, (-)-trans-2-Decalone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 16021-08-2 |
|---|---|
| SMILES | C1CC[C@@H]2CC(=O)CC[C@H]2C1 |
| InChIKey | LGVJRKCQQHOWAU-RKDXNWHRSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
反式-2-萘烷酮 (CAS 16021-08-2), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.
Chemical Property Profile of 反式-2-萘烷酮
Property Insights of 反式-2-萘烷酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 反式-2-萘烷酮. With a topological polar surface area (TPSA) of 17.1 Ų, 反式-2-萘烷酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 反式-2-萘烷酮 has 0 hydrogen bond donor(s) and 1 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 反式-2-萘烷酮?
The CAS number of 反式-2-萘烷酮 is 16021-08-2.
What is the molecular formula of 反式-2-萘烷酮?
The molecular formula of 反式-2-萘烷酮 is C10H16O.
What is the molecular weight of 反式-2-萘烷酮?
The molecular weight of 反式-2-萘烷酮 is 152.12 g/mol.
Where can I buy 反式-2-萘烷酮?
You can request a quote for 反式-2-萘烷酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 反式-2-萘烷酮?
Yes, KEHONG BIO provides custom synthesis services for 反式-2-萘烷酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.