Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone
TL;DR: Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone (CAS 62532-49-4) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5R)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl but-2-enoate
Also Known As: COTC, Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone, [(3R,4R,5R)-3,4,5-Trihydroxy-6-oxocyclohexen-1-yl]methyl but-2-enoate, 2-Butenoic acid, (6-oxo-3,4,5-trihydroxy-1-cyclohexen-1-yl)methyl ester, (3R-(3-alpha,4-alpha,5-alpha))-, 2-Butenoic acid,[(3R,4R,5R)-3,4,5-trihydroxy-6-oxo-1-cyclohexen-1-yl]methyl ester, (2E)-
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 62532-49-4 |
|---|---|
| SMILES | CC=CC(=O)OCC1=C[C@H]([C@H]([C@H](C1=O)O)O)O |
| InChIKey | PSJQCAMBOYBQEU-ONOSFVFSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone (CAS 62532-49-4), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: [(3R,4R,5R)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl but-2-enoate.
Chemical Property Profile of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone
Property Insights of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone
The XLogP value of -1.2 indicates that Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone. Following Lipinski's Rule of Five, Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone has 3 hydrogen bond donor(s) and 6 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 Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone?
The CAS number of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone is 62532-49-4.
What is the molecular formula of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone?
The molecular formula of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone is C11H14O6.
What is the molecular weight of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone?
The molecular weight of Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone is 242.08 g/mol.
Where can I buy Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone?
You can request a quote for Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for Crotonyloxymethyl-4,5,6-trihydroxycyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.