金鹊根素
TL;DR: 金鹊根素 (CAS 777857-86-0) is a chemical compound with molecular formula C56H44O13 and molecular weight 924.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
金鹊根素
5-[4-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
Also Known As: Kobophenol A, Carasinol B, 5-[4-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
| Molecular Formula | C56H44O13 |
|---|---|
| Molecular Weight | 924.28 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 924.2782 |
| Heavy Atoms | 69 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 777857-86-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O |
| InChIKey | RAUCCLKIJHMTND-UHFFFAOYSA-N |
Product Overview
金鹊根素 (CAS 777857-86-0), with molecular formula C56H44O13 and molecular weight 924.28 g/mol. IUPAC: 5-[4-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol.
Chemical Property Profile of 金鹊根素
Property Insights of 金鹊根素
The XLogP value of 8.8 indicates that 金鹊根素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting 金鹊根素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 金鹊根素 has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 金鹊根素?
The CAS number of 金鹊根素 is 777857-86-0.
What is the molecular formula of 金鹊根素?
The molecular formula of 金鹊根素 is C56H44O13.
What is the molecular weight of 金鹊根素?
The molecular weight of 金鹊根素 is 924.28 g/mol.
Where can I buy 金鹊根素?
You can request a quote for 金鹊根素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金鹊根素?
Yes, KEHONG BIO provides custom synthesis services for 金鹊根素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.