异芒柄花素
TL;DR: 异芒柄花素 (CAS 486-63-5) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异芒柄花素
3-(4-hydroxyphenyl)-7-methoxychromen-4-one
Also Known As: isoformononetin, isoformononetein, Dehydroevodiamine, ISOFORMONENTIN, 7-O-methyldaidzein
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
| Melting Point | 218 - 220 °C |
Chemical Identifiers
| CAS Number | 486-63-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O |
| InChIKey | LNIQZRIHAMVRJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异芒柄花素 (CAS 486-63-5), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 3-(4-hydroxyphenyl)-7-methoxychromen-4-one.
Chemical Property Profile of 异芒柄花素
Property Insights of 异芒柄花素
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异芒柄花素. With a topological polar surface area (TPSA) of 55.8 Ų, 异芒柄花素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异芒柄花素 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 异芒柄花素?
The CAS number of 异芒柄花素 is 486-63-5.
What is the molecular formula of 异芒柄花素?
The molecular formula of 异芒柄花素 is C16H12O4.
What is the molecular weight of 异芒柄花素?
The molecular weight of 异芒柄花素 is 268.07 g/mol.
Where can I buy 异芒柄花素?
You can request a quote for 异芒柄花素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异芒柄花素?
Yes, KEHONG BIO provides custom synthesis services for 异芒柄花素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.