Zaragozic Acid A
TL;DR: Zaragozic Acid A (CAS 138682-84-5) is a chemical compound with molecular formula C35H46O14 and molecular weight 690.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Also Known As: Zaragozic acid A, squalestatin 1, Squalestatin, squalestatin s1, zaragozic acid
| Molecular Formula | C35H46O14 |
|---|---|
| Molecular Weight | 690.29 g/mol |
| LogP | 2.8835 |
| Topological Polar Surface Area | 223.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 690.28876 |
| Heavy Atoms | 49 |
| Complexity | 1440.6356 |
Chemical Identifiers
| CAS Number | 138682-84-5 |
|---|---|
| SMILES | CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O |
Product Overview
Zaragozic Acid A (CAS 138682-84-5), with molecular formula C35H46O14 and molecular weight 690.29 g/mol. IUPAC: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid.
Chemical Property Profile of Zaragozic Acid A
Property Insights of Zaragozic Acid A
The XLogP value of 2.8835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zaragozic Acid A. The TPSA of 223.42 Ų indicates high polarity, suggesting Zaragozic Acid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zaragozic Acid A has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zaragozic Acid A?
The CAS number of Zaragozic Acid A is 138682-84-5.
What is the molecular formula of Zaragozic Acid A?
The molecular formula of Zaragozic Acid A is C35H46O14.
What is the molecular weight of Zaragozic Acid A?
The molecular weight of Zaragozic Acid A is 690.29 g/mol.
Where can I buy Zaragozic Acid A?
You can request a quote for Zaragozic Acid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zaragozic Acid A?
Yes, KEHONG BIO provides custom synthesis services for Zaragozic Acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.