Calebin A
TL;DR: Calebin A (CAS 336784-82-8) is a chemical compound with molecular formula C21H20O7 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Calebin A, Calebin-A, CALEBI A, J1.581.317B, J1.809.754K
| Molecular Formula | C21H20O7 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.1209 |
| Heavy Atoms | 28 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 336784-82-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
| InChIKey | UYEWRTKHKAVRDI-ASVGJQBISA-N |
Product Overview
Calebin A (CAS 336784-82-8), with molecular formula C21H20O7 and molecular weight 384.12 g/mol. IUPAC: [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Calebin A
Property Insights of Calebin A
The XLogP value of 3.3 indicates that Calebin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calebin A. Following Lipinski's Rule of Five, Calebin A has 2 hydrogen bond donor(s) and 7 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 Calebin A?
The CAS number of Calebin A is 336784-82-8.
What is the molecular formula of Calebin A?
The molecular formula of Calebin A is C21H20O7.
What is the molecular weight of Calebin A?
The molecular weight of Calebin A is 384.12 g/mol.
Where can I buy Calebin A?
You can request a quote for Calebin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calebin A?
Yes, KEHONG BIO provides custom synthesis services for Calebin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.