Aquastatin A
TL;DR: Aquastatin A (CAS 18865-33-3) is a chemical compound with molecular formula C36H52O12 and molecular weight 676.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
Also Known As: Aquastatin A, 2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid, 4-{[4-(Hexopyranosyloxy)-2-hydroxy-6-pentadecylbenzoyl]oxy}-2-hydroxy-6-methylbenzoic acid, 4-{[4-(, A-d-galactopyranosyloxy)-2-hydroxy-6-pentadecylbenzoyl]oxy}-2-hydroxy-6-methylbenzoic acid
| Molecular Formula | C36H52O12 |
|---|---|
| Molecular Weight | 676.35 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 676.3459 |
| Heavy Atoms | 48 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 18865-33-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O |
| InChIKey | PAQGKQJWHLLQLF-DIARTVEHSA-N |
Product Overview
Aquastatin A (CAS 18865-33-3), with molecular formula C36H52O12 and molecular weight 676.35 g/mol. IUPAC: 2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid.
Chemical Property Profile of Aquastatin A
Property Insights of Aquastatin A
The XLogP value of 9.3 indicates that Aquastatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting Aquastatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aquastatin A has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aquastatin A?
The CAS number of Aquastatin A is 18865-33-3.
What is the molecular formula of Aquastatin A?
The molecular formula of Aquastatin A is C36H52O12.
What is the molecular weight of Aquastatin A?
The molecular weight of Aquastatin A is 676.35 g/mol.
Where can I buy Aquastatin A?
You can request a quote for Aquastatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aquastatin A?
Yes, KEHONG BIO provides custom synthesis services for Aquastatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.