Cyngal
TL;DR: Cyngal (CAS 39456-87-6) is a chemical compound with molecular formula C27H37NO12 and molecular weight 567.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate;3,4,5-trihydroxybenzoic acid
Also Known As: Cyngal, Tsingal, Heliosupine gallate, Cynoglossophine gallate, Benzoic acid, 3,4,5-trihydroxy-, compd. with 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 2-methyl-2-butenoate (1:1)
| Molecular Formula | C27H37NO12 |
|---|---|
| Molecular Weight | 567.23 g/mol |
| LogP | 0.8063 |
| Topological Polar Surface Area | 214.52 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.23157 |
| Heavy Atoms | 40 |
| Complexity | 1159.4393 |
Chemical Identifiers
| CAS Number | 39456-87-6 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O.C1=C(C=C(C(=C1O)O)O)C(=O)O |
Product Overview
Cyngal (CAS 39456-87-6), with molecular formula C27H37NO12 and molecular weight 567.23 g/mol. IUPAC: [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate;3,4,5-trihydroxybenzoic acid.
Chemical Property Profile of Cyngal
Property Insights of Cyngal
The XLogP value of 0.8063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyngal. The TPSA of 214.52 Ų indicates high polarity, suggesting Cyngal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyngal 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 Cyngal?
The CAS number of Cyngal is 39456-87-6.
What is the molecular formula of Cyngal?
The molecular formula of Cyngal is C27H37NO12.
What is the molecular weight of Cyngal?
The molecular weight of Cyngal is 567.23 g/mol.
Where can I buy Cyngal?
You can request a quote for Cyngal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyngal?
Yes, KEHONG BIO provides custom synthesis services for Cyngal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.