甜舌草素
TL;DR: 甜舌草素 (CAS 95602-94-1) 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.
甜舌草素
(6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
Also Known As: Hernandulcin, (+)-Hernandulcin, (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one, (S-(R*,R*))-6-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-, (S-(R*,R*))-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 95602-94-1 |
|---|---|
| SMILES | CC1=CC(=O)[C@@H](CC1)[C@](C)(CCC=C(C)C)O |
| InChIKey | HYQNKKAJVPMBDR-HIFRSBDPSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甜舌草素 (CAS 95602-94-1), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one.
Chemical Property Profile of 甜舌草素
Property Insights of 甜舌草素
The XLogP value of 3.3 indicates that 甜舌草素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 甜舌草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甜舌草素 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 甜舌草素?
The CAS number of 甜舌草素 is 95602-94-1.
What is the molecular formula of 甜舌草素?
The molecular formula of 甜舌草素 is C15H24O2.
What is the molecular weight of 甜舌草素?
The molecular weight of 甜舌草素 is 236.18 g/mol.
Where can I buy 甜舌草素?
You can request a quote for 甜舌草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甜舌草素?
Yes, KEHONG BIO provides custom synthesis services for 甜舌草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.