Isosteviol
TL;DR: Isosteviol (CAS 27975-19-5) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Isosteviol, iso-steviol, (-)-Isosteviol, Ketoisostevic Acid, Isosteriol
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 27975-19-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C |
| InChIKey | KFVUFODCZDRVSS-XGBBNYNSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isosteviol (CAS 27975-19-5), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of Isosteviol
Property Insights of Isosteviol
The XLogP value of 4.3 indicates that Isosteviol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Isosteviol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isosteviol 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 Isosteviol?
The CAS number of Isosteviol is 27975-19-5.
What is the molecular formula of Isosteviol?
The molecular formula of Isosteviol is C20H30O3.
What is the molecular weight of Isosteviol?
The molecular weight of Isosteviol is 318.22 g/mol.
Where can I buy Isosteviol?
You can request a quote for Isosteviol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosteviol?
Yes, KEHONG BIO provides custom synthesis services for Isosteviol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.