莪术二酮
TL;DR: 莪术二酮 (CAS 13657-68-6) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莪术二酮
(3S,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
Also Known As: Curdione, (+)-Curdione, (3S,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione, 6-Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S,6E,10S)-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 13657-68-6 |
|---|---|
| SMILES | C[C@H]1CCC=C(CC(=O)[C@@H](CC1=O)C(C)C)C |
| InChIKey | KDPFMRXIVDLQKX-STQMWFEESA-N |
Product Overview
莪术二酮 (CAS 13657-68-6), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (3S,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione.
Chemical Property Profile of 莪术二酮
Property Insights of 莪术二酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 莪术二酮. With a topological polar surface area (TPSA) of 34.1 Ų, 莪术二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莪术二酮 has 0 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 莪术二酮?
The CAS number of 莪术二酮 is 13657-68-6.
What is the molecular formula of 莪术二酮?
The molecular formula of 莪术二酮 is C15H24O2.
What is the molecular weight of 莪术二酮?
The molecular weight of 莪术二酮 is 236.18 g/mol.
Where can I buy 莪术二酮?
You can request a quote for 莪术二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莪术二酮?
Yes, KEHONG BIO provides custom synthesis services for 莪术二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.