4',4''-Dihydroxyanigorootin
TL;DR: 4',4''-Dihydroxyanigorootin (CAS 448949-11-9) is a chemical compound with molecular formula C38H22O8 and molecular weight 606.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,13R,14R,26R)-1,14-dihydroxy-9,22-bis(4-hydroxyphenyl)-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione
Also Known As: 4',4''-Dihydroxyanigorootin, 4',4''-Dihydroxy-anigorootin
| Molecular Formula | C38H22O8 |
|---|---|
| Molecular Weight | 606.13 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 606.1315 |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 448949-11-9 |
|---|---|
| SMILES | C1=CC(=C2C3=C1C=CC4=C3[C@H]5[C@@H]6C7=C(C=CC8=C7C(=C(C=C8)C9=CC=C(C=C9)O)C(=O)[C@@]6(O4)O)O[C@]5(C2=O)O)C1=CC=C(C=C1)O |
| InChIKey | MQHLUOTXEDJGPU-QXOULVPSSA-N |
Product Overview
4',4''-Dihydroxyanigorootin (CAS 448949-11-9), with molecular formula C38H22O8 and molecular weight 606.13 g/mol. IUPAC: (1R,13R,14R,26R)-1,14-dihydroxy-9,22-bis(4-hydroxyphenyl)-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione.
Chemical Property Profile of 4',4''-Dihydroxyanigorootin
Property Insights of 4',4''-Dihydroxyanigorootin
The XLogP value of 6.0 indicates that 4',4''-Dihydroxyanigorootin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',4''-Dihydroxyanigorootin. Following Lipinski's Rule of Five, 4',4''-Dihydroxyanigorootin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',4''-Dihydroxyanigorootin?
The CAS number of 4',4''-Dihydroxyanigorootin is 448949-11-9.
What is the molecular formula of 4',4''-Dihydroxyanigorootin?
The molecular formula of 4',4''-Dihydroxyanigorootin is C38H22O8.
What is the molecular weight of 4',4''-Dihydroxyanigorootin?
The molecular weight of 4',4''-Dihydroxyanigorootin is 606.13 g/mol.
Where can I buy 4',4''-Dihydroxyanigorootin?
You can request a quote for 4',4''-Dihydroxyanigorootin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',4''-Dihydroxyanigorootin?
Yes, KEHONG BIO provides custom synthesis services for 4',4''-Dihydroxyanigorootin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.