Yatein
TL;DR: Yatein (CAS 40456-50-6) is a chemical compound with molecular formula C22H24O7 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Yatein, (-)-yatein, Dihydroanhydropodorhizol, Deoxypodorhizone, (-)-deoxypodorhizone
| Molecular Formula | C22H24O7 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1522 |
| Heavy Atoms | 29 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 40456-50-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | GMLDZDDTZKXJLU-JKSUJKDBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Yatein (CAS 40456-50-6), with molecular formula C22H24O7 and molecular weight 400.15 g/mol. IUPAC: (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Yatein
Property Insights of Yatein
The XLogP value of 3.8 indicates that Yatein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Yatein. Following Lipinski's Rule of Five, Yatein has 0 hydrogen bond donor(s) and 7 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 Yatein?
The CAS number of Yatein is 40456-50-6.
What is the molecular formula of Yatein?
The molecular formula of Yatein is C22H24O7.
What is the molecular weight of Yatein?
The molecular weight of Yatein is 400.15 g/mol.
Where can I buy Yatein?
You can request a quote for Yatein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yatein?
Yes, KEHONG BIO provides custom synthesis services for Yatein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.