Isotriuvaretin
TL;DR: Isotriuvaretin (CAS 137397-72-9) is a chemical compound with molecular formula C37H34O7 and molecular weight 590.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,4-dihydroxy-3-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-5-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Also Known As: isotriuvaretin, J2.397.605F, 1-[2,4-dihydroxy-3-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-5-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one, 1-(2,4-dihydroxy-3-((2-hydroxy-5-((2-hydroxyphenyl)methyl)phenyl)methyl)-5-((2-hydroxyphenyl)methyl)-6-methoxyphenyl)-3-phenylpropan-1-one, 1-(2,4-Dihydroxy-5-(2-hydroxybenzyl)-3-(2-hydroxy-5-(2-hydroxybenzyl)benzyl)-6-methoxyphenyl)-3-phenyl-1-propanone
| Molecular Formula | C37H34O7 |
|---|---|
| Molecular Weight | 590.23 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 590.23047 |
| Heavy Atoms | 44 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 137397-72-9 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1CC2=CC=CC=C2O)O)CC3=C(C=CC(=C3)CC4=CC=CC=C4O)O)O)C(=O)CCC5=CC=CC=C5 |
| InChIKey | CHUSLHRISJPBMD-UHFFFAOYSA-N |
Product Overview
Isotriuvaretin (CAS 137397-72-9), with molecular formula C37H34O7 and molecular weight 590.23 g/mol. IUPAC: 1-[2,4-dihydroxy-3-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-5-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one.
Chemical Property Profile of Isotriuvaretin
Property Insights of Isotriuvaretin
The XLogP value of 8.0 indicates that Isotriuvaretin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotriuvaretin. Following Lipinski's Rule of Five, Isotriuvaretin has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isotriuvaretin?
The CAS number of Isotriuvaretin is 137397-72-9.
What is the molecular formula of Isotriuvaretin?
The molecular formula of Isotriuvaretin is C37H34O7.
What is the molecular weight of Isotriuvaretin?
The molecular weight of Isotriuvaretin is 590.23 g/mol.
Where can I buy Isotriuvaretin?
You can request a quote for Isotriuvaretin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotriuvaretin?
Yes, KEHONG BIO provides custom synthesis services for Isotriuvaretin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.