Butrin
TL;DR: Butrin (CAS 5445-64-7) 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.
Butrin
(2S)-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Butrin, Butin 7,3'-di-O-glucoside, 7,3',4'-Trihydroxyflavanone-7,3'-diglucoside, (2S)-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2S)-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside
| Molecular Formula | C27H32O15 |
|---|---|
| Molecular Weight | 596.17 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.17413 |
| Heavy Atoms | 42 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 5445-64-7 |
|---|---|
| SMILES | C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | QVCQYYYTMIZOGK-VQBAZXIRSA-N |
Product Overview
Butrin (CAS 5445-64-7), with molecular formula C27H32O15 and molecular weight 596.17 g/mol. IUPAC: (2S)-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Butrin
Property Insights of Butrin
The XLogP value of -1.8 indicates that Butrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting Butrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butrin has 9 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 Butrin?
The CAS number of Butrin is 5445-64-7.
What is the molecular formula of Butrin?
The molecular formula of Butrin is C27H32O15.
What is the molecular weight of Butrin?
The molecular weight of Butrin is 596.17 g/mol.
Where can I buy Butrin?
You can request a quote for Butrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butrin?
Yes, KEHONG BIO provides custom synthesis services for Butrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.