Isohomoarbutin
TL;DR: Isohomoarbutin (CAS 25162-30-5) is a chemical compound with molecular formula C13H18O7 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol
Also Known As: Isohomoarbutin, beta-D-glucopyranoside, beta-D-Glucopyranoside, 4-hydroxy-2-methylphenyl, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(4-Hydroxy-2-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
| Molecular Formula | C13H18O7 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | -1.12068 |
| Topological Polar Surface Area | 119.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.10526 |
| Heavy Atoms | 20 |
| Complexity | 462.03293 |
Chemical Identifiers
| CAS Number | 25162-30-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
Isohomoarbutin (CAS 25162-30-5), with molecular formula C13H18O7 and molecular weight 286.11 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol.
Chemical Property Profile of Isohomoarbutin
Property Insights of Isohomoarbutin
The XLogP value of -1.12068 indicates that Isohomoarbutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Isohomoarbutin. Following Lipinski's Rule of Five, Isohomoarbutin has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isohomoarbutin?
The CAS number of Isohomoarbutin is 25162-30-5.
What is the molecular formula of Isohomoarbutin?
The molecular formula of Isohomoarbutin is C13H18O7.
What is the molecular weight of Isohomoarbutin?
The molecular weight of Isohomoarbutin is 286.11 g/mol.
Where can I buy Isohomoarbutin?
You can request a quote for Isohomoarbutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isohomoarbutin?
Yes, KEHONG BIO provides custom synthesis services for Isohomoarbutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.