Melleolide
TL;DR: Melleolide (CAS 82869-08-7) is a chemical compound with molecular formula C23H28O6 and molecular weight 400.19 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] 2,4-dihydroxy-6-methylbenzoate
Also Known As: Melleolide, J3.388.720E, Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, rel-(+)-, ((2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta(e)inden-2-yl) 2,4-dihydroxy-6-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 2,4-dihydroxy-6-methylbenzoate
| Molecular Formula | C23H28O6 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1886 |
| Heavy Atoms | 29 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 82869-08-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C)O)O |
| InChIKey | SJZRUQOYQZRISL-IDOJSZHESA-N |
Product Overview
Melleolide (CAS 82869-08-7), with molecular formula C23H28O6 and molecular weight 400.19 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] 2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Melleolide
Property Insights of Melleolide
The XLogP value of 4.5 indicates that Melleolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Melleolide. Following Lipinski's Rule of Five, Melleolide 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?
The CAS number of Melleolide is 82869-08-7.
What is the molecular formula of Melleolide?
The molecular formula of Melleolide is C23H28O6.
What is the molecular weight of Melleolide?
The molecular weight of Melleolide is 400.19 g/mol.
Where can I buy Melleolide?
You can request a quote for Melleolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melleolide?
Yes, KEHONG BIO provides custom synthesis services for Melleolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.