3'-Methoxycalycopterin
TL;DR: 3'-Methoxycalycopterin (CAS 50439-47-9) is a chemical compound with molecular formula C20H20O9 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Also Known As: 3'-Methoxycalycopterin, 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone, 3 -Methoxycalycopterin, MS/433, 5,4'-Dioh-3,6,7,8,3'-pmf
| Molecular Formula | C20H20O9 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11072 |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 50439-47-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O |
| InChIKey | HCAGTMLWEWVIJA-UHFFFAOYSA-N |
Product Overview
3'-Methoxycalycopterin (CAS 50439-47-9), with molecular formula C20H20O9 and molecular weight 404.11 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one.
Chemical Property Profile of 3'-Methoxycalycopterin
Property Insights of 3'-Methoxycalycopterin
The XLogP value of 3.1 indicates that 3'-Methoxycalycopterin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Methoxycalycopterin. Following Lipinski's Rule of Five, 3'-Methoxycalycopterin has 2 hydrogen bond donor(s) and 9 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 3'-Methoxycalycopterin?
The CAS number of 3'-Methoxycalycopterin is 50439-47-9.
What is the molecular formula of 3'-Methoxycalycopterin?
The molecular formula of 3'-Methoxycalycopterin is C20H20O9.
What is the molecular weight of 3'-Methoxycalycopterin?
The molecular weight of 3'-Methoxycalycopterin is 404.11 g/mol.
Where can I buy 3'-Methoxycalycopterin?
You can request a quote for 3'-Methoxycalycopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Methoxycalycopterin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methoxycalycopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.