Isoneorautenol
TL;DR: Isoneorautenol (CAS 98755-24-9) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol
Also Known As: Isoneorautenol, Isothymusin, (-)-Isoneorautenol, dimethyl[?]ol, 3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 98755-24-9 |
|---|---|
| SMILES | CC1(C=CC2=CC3=C(C=C2O1)OC4C3COC5=C4C=CC(=C5)O)C |
| InChIKey | WTKJOOHYNMPGLE-UHFFFAOYSA-N |
Product Overview
Isoneorautenol (CAS 98755-24-9), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: 7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol.
Chemical Property Profile of Isoneorautenol
Property Insights of Isoneorautenol
The XLogP value of 3.6 indicates that Isoneorautenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Isoneorautenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoneorautenol has 1 hydrogen bond donor(s) and 4 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 Isoneorautenol?
The CAS number of Isoneorautenol is 98755-24-9.
What is the molecular formula of Isoneorautenol?
The molecular formula of Isoneorautenol is C20H18O4.
What is the molecular weight of Isoneorautenol?
The molecular weight of Isoneorautenol is 322.12 g/mol.
Where can I buy Isoneorautenol?
You can request a quote for Isoneorautenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoneorautenol?
Yes, KEHONG BIO provides custom synthesis services for Isoneorautenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.