Melleolide K
TL;DR: Melleolide K (CAS 264229-80-3) is a chemical compound with molecular formula C23H27ClO6 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
Also Known As: Melleolide K, Melleolide-K, J1.291.510A, ((2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta(e)inden-2-yl) 3-chloro-4,6-dihydroxy-2-methylbenzoate, (2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
| Molecular Formula | C23H27ClO6 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 3.91742 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.14963 |
| Heavy Atoms | 30 |
| Complexity | 982.3957 |
Chemical Identifiers
| CAS Number | 264229-80-3 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)O)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C |
Product Overview
Melleolide K (CAS 264229-80-3), with molecular formula C23H27ClO6 and molecular weight 434.15 g/mol. IUPAC: [(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate.
Chemical Property Profile of Melleolide K
Property Insights of Melleolide K
The XLogP value of 3.91742 indicates that Melleolide K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Melleolide K. Following Lipinski's Rule of Five, Melleolide K 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 Melleolide K?
The CAS number of Melleolide K is 264229-80-3.
What is the molecular formula of Melleolide K?
The molecular formula of Melleolide K is C23H27ClO6.
What is the molecular weight of Melleolide K?
The molecular weight of Melleolide K is 434.15 g/mol.
Where can I buy Melleolide K?
You can request a quote for Melleolide K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melleolide K?
Yes, KEHONG BIO provides custom synthesis services for Melleolide K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.