Pseudobaptigenin methyl ether
TL;DR: Pseudobaptigenin methyl ether (CAS 4253-04-7) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one
Also Known As: Pseudobaptigenin methyl ether, DivK1c_007020, KBio1_001964, CMLD3_000214, 7-Methoxy-3',4'-methylenedioxyisoflavone
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.1973 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 925.9709 |
Chemical Identifiers
| CAS Number | 4253-04-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4 |
Product Overview
Pseudobaptigenin methyl ether (CAS 4253-04-7), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one.
Chemical Property Profile of Pseudobaptigenin methyl ether
Property Insights of Pseudobaptigenin methyl ether
The XLogP value of 3.1973 indicates that Pseudobaptigenin methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Pseudobaptigenin methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudobaptigenin methyl ether has 0 hydrogen bond donor(s) and 5 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 Pseudobaptigenin methyl ether?
The CAS number of Pseudobaptigenin methyl ether is 4253-04-7.
What is the molecular formula of Pseudobaptigenin methyl ether?
The molecular formula of Pseudobaptigenin methyl ether is C17H12O5.
What is the molecular weight of Pseudobaptigenin methyl ether?
The molecular weight of Pseudobaptigenin methyl ether is 296.07 g/mol.
Where can I buy Pseudobaptigenin methyl ether?
You can request a quote for Pseudobaptigenin methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudobaptigenin methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Pseudobaptigenin methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.