Isorhoifolin
TL;DR: Isorhoifolin (CAS 552-57-8) is a chemical compound with molecular formula C27H30O14 and molecular weight 578.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Isorhoifolin, Apigenin-7-O-neohesperidoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one, 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-, 5-Hydroxy-2-(4-hydroxyphenyl)-7-(4,5,6-trihydroxy-3-((4,5,6-trihydroxy-3-methyl(2-oxanyloxy))methyl)(2-oxanyloxy))-4H-chromen-4-one
| Molecular Formula | C27H30O14 |
|---|---|
| Molecular Weight | 578.16 g/mol |
| LogP | -1.0983 |
| Topological Polar Surface Area | 228.97 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.1636 |
| Heavy Atoms | 41 |
| Complexity | 1424.0205 |
Chemical Identifiers
| CAS Number | 552-57-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O |
Product Overview
Isorhoifolin (CAS 552-57-8), with molecular formula C27H30O14 and molecular weight 578.16 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Isorhoifolin
Property Insights of Isorhoifolin
The XLogP value of -1.0983 indicates that Isorhoifolin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.97 Ų indicates high polarity, suggesting Isorhoifolin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhoifolin has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isorhoifolin?
The CAS number of Isorhoifolin is 552-57-8.
What is the molecular formula of Isorhoifolin?
The molecular formula of Isorhoifolin is C27H30O14.
What is the molecular weight of Isorhoifolin?
The molecular weight of Isorhoifolin is 578.16 g/mol.
Where can I buy Isorhoifolin?
You can request a quote for Isorhoifolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorhoifolin?
Yes, KEHONG BIO provides custom synthesis services for Isorhoifolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.