Troxerutin
TL;DR: Troxerutin (CAS 7085-55-4) is a chemical compound with molecular formula C33H42O19 and molecular weight 742.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Troxerutin, Pherarutin, Posorutin, Troksevazin, Troxarutin
| Molecular Formula | C33H42O19 |
|---|---|
| Molecular Weight | 742.23 g/mol |
| LogP | -2.6906 |
| Topological Polar Surface Area | 297.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 742.23206 |
| Heavy Atoms | 52 |
| Complexity | 1697.9766 |
Chemical Identifiers
| CAS Number | 7085-55-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O |
Product Overview
Troxerutin (CAS 7085-55-4), with molecular formula C33H42O19 and molecular weight 742.23 g/mol. IUPAC: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Troxerutin
Property Insights of Troxerutin
The XLogP value of -2.6906 indicates that Troxerutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.12 Ų indicates high polarity, suggesting Troxerutin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Troxerutin has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Troxerutin?
The CAS number of Troxerutin is 7085-55-4.
What is the molecular formula of Troxerutin?
The molecular formula of Troxerutin is C33H42O19.
What is the molecular weight of Troxerutin?
The molecular weight of Troxerutin is 742.23 g/mol.
Where can I buy Troxerutin?
You can request a quote for Troxerutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Troxerutin?
Yes, KEHONG BIO provides custom synthesis services for Troxerutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.