Isobutrin
TL;DR: Isobutrin (CAS 536-01-6) is a chemical compound with molecular formula C27H32O15 and molecular weight 596.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Also Known As: Isobutrin, (E)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one, 1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one, 5-{3-[4-(Hexopyranosyloxy)-2-hydroxyphenyl]-3-oxoprop-1-en-1-yl}-2-hydroxyphenyl hexopyranoside
| Molecular Formula | C27H32O15 |
|---|---|
| Molecular Weight | 596.17 g/mol |
| LogP | -2.6487 |
| Topological Polar Surface Area | 256.29 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.17413 |
| Heavy Atoms | 42 |
| Complexity | 1264.0865 |
Chemical Identifiers
| CAS Number | 536-01-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Isobutrin (CAS 536-01-6), with molecular formula C27H32O15 and molecular weight 596.17 g/mol. IUPAC: 1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one.
Chemical Property Profile of Isobutrin
Property Insights of Isobutrin
The XLogP value of -2.6487 indicates that Isobutrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 256.29 Ų indicates high polarity, suggesting Isobutrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobutrin has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobutrin?
The CAS number of Isobutrin is 536-01-6.
What is the molecular formula of Isobutrin?
The molecular formula of Isobutrin is C27H32O15.
What is the molecular weight of Isobutrin?
The molecular weight of Isobutrin is 596.17 g/mol.
Where can I buy Isobutrin?
You can request a quote for Isobutrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutrin?
Yes, KEHONG BIO provides custom synthesis services for Isobutrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.