Hycandinic acid ester-2
TL;DR: Hycandinic acid ester-2 (CAS 214353-01-2) is a chemical compound with molecular formula C21H28O9 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
Also Known As: Hycandinic acid ester-2, 4-O-Feruloylquinic acid butyl ester, butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, butyl ester, (1alpha,3R,4alpha,5R)-
| Molecular Formula | C21H28O9 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 0.9158 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.17334 |
| Heavy Atoms | 30 |
| Complexity | 761.7406 |
Chemical Identifiers
| CAS Number | 214353-01-2 |
|---|---|
| SMILES | CCCCOC(=O)C1(C[C@H](C([C@@H](C1)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O)O |
Product Overview
Hycandinic acid ester-2 (CAS 214353-01-2), with molecular formula C21H28O9 and molecular weight 424.17 g/mol. IUPAC: trans-butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate.
Chemical Property Profile of Hycandinic acid ester-2
Property Insights of Hycandinic acid ester-2
The XLogP value of 0.9158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hycandinic acid ester-2. The TPSA of 142.75 Ų indicates high polarity, suggesting Hycandinic acid ester-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hycandinic acid ester-2 has 4 hydrogen bond donor(s) and 9 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 Hycandinic acid ester-2?
The CAS number of Hycandinic acid ester-2 is 214353-01-2.
What is the molecular formula of Hycandinic acid ester-2?
The molecular formula of Hycandinic acid ester-2 is C21H28O9.
What is the molecular weight of Hycandinic acid ester-2?
The molecular weight of Hycandinic acid ester-2 is 424.17 g/mol.
Where can I buy Hycandinic acid ester-2?
You can request a quote for Hycandinic acid ester-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hycandinic acid ester-2?
Yes, KEHONG BIO provides custom synthesis services for Hycandinic acid ester-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.