Isocryptomerin
TL;DR: Isocryptomerin (CAS 20931-58-2) is a chemical compound with molecular formula C31H20O10 and molecular weight 552.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Also Known As: Isocryptomerin, lsocryptomerin, Isocyptomerin, 7''-O-methyl hinokiflavone, Hinokiflavone-7"-methyl ether
| Molecular Formula | C31H20O10 |
|---|---|
| Molecular Weight | 552.11 g/mol |
| LogP | 5.8567 |
| Topological Polar Surface Area | 159.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.10565 |
| Heavy Atoms | 41 |
| Complexity | 2071.8108 |
Chemical Identifiers
| CAS Number | 20931-58-2 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
Product Overview
Isocryptomerin (CAS 20931-58-2), with molecular formula C31H20O10 and molecular weight 552.11 g/mol. IUPAC: 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
Chemical Property Profile of Isocryptomerin
Property Insights of Isocryptomerin
The XLogP value of 5.8567 indicates that Isocryptomerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.8 Ų indicates high polarity, suggesting Isocryptomerin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isocryptomerin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isocryptomerin?
The CAS number of Isocryptomerin is 20931-58-2.
What is the molecular formula of Isocryptomerin?
The molecular formula of Isocryptomerin is C31H20O10.
What is the molecular weight of Isocryptomerin?
The molecular weight of Isocryptomerin is 552.11 g/mol.
Where can I buy Isocryptomerin?
You can request a quote for Isocryptomerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocryptomerin?
Yes, KEHONG BIO provides custom synthesis services for Isocryptomerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.