Rutacil
TL;DR: Rutacil (CAS 132151-81-6) is a chemical compound with molecular formula C31H34O18 and molecular weight 694.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]phenyl] acetate
Also Known As: Rutacil, [2-acetyloxy-4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]phenyl] acetate, 4-(3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-1,2-phenylene diacetate, 4H-1-Benzopyran-4-one, 2-(3,4-bis(acetyloxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-, RefChem:180357
| Molecular Formula | C31H34O18 |
|---|---|
| Molecular Weight | 694.17 g/mol |
| LogP | -1.2477 |
| Topological Polar Surface Area | 281.57 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 694.1745 |
| Heavy Atoms | 49 |
| Complexity | 1771.3959 |
Chemical Identifiers
| CAS Number | 132151-81-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C)O)O)O)O)O)O |
Product Overview
Rutacil (CAS 132151-81-6), with molecular formula C31H34O18 and molecular weight 694.17 g/mol. IUPAC: [2-acetyloxy-4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]phenyl] acetate.
Chemical Property Profile of Rutacil
Property Insights of Rutacil
The XLogP value of -1.2477 indicates that Rutacil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.57 Ų indicates high polarity, suggesting Rutacil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rutacil has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rutacil?
The CAS number of Rutacil is 132151-81-6.
What is the molecular formula of Rutacil?
The molecular formula of Rutacil is C31H34O18.
What is the molecular weight of Rutacil?
The molecular weight of Rutacil is 694.17 g/mol.
Where can I buy Rutacil?
You can request a quote for Rutacil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rutacil?
Yes, KEHONG BIO provides custom synthesis services for Rutacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.