Isosativan
TL;DR: Isosativan (CAS 3722-59-6) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
Also Known As: Isosativan, JDTic dihydrochloride, Isosativan, (+/-)-, 2'-Isoflavanol, 4',7-dimethoxy-, 2'-Hydroxy-7,4'-dimethoxyisoflavan
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 3722-59-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O |
| InChIKey | FWAWTPASGRNXTO-UHFFFAOYSA-N |
Product Overview
Isosativan (CAS 3722-59-6), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol.
Chemical Property Profile of Isosativan
Property Insights of Isosativan
The XLogP value of 3.3 indicates that Isosativan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Isosativan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isosativan 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 Isosativan?
The CAS number of Isosativan is 3722-59-6.
What is the molecular formula of Isosativan?
The molecular formula of Isosativan is C17H18O4.
What is the molecular weight of Isosativan?
The molecular weight of Isosativan is 286.12 g/mol.
Where can I buy Isosativan?
You can request a quote for Isosativan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosativan?
Yes, KEHONG BIO provides custom synthesis services for Isosativan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.