5'-O-methylmelledonal
TL;DR: 5'-O-methylmelledonal (CAS 112471-07-5) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Also Known As: 5'-O-methylmelledonal, 4'-Methylmelledonal, J3.530.522J, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate, (2R,2aS,4aR,7R,7aS,7bR)-3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 112471-07-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C)O)OC |
| InChIKey | PETDNGRBYPTDNI-QSNWBFGMSA-N |
Product Overview
5'-O-methylmelledonal (CAS 112471-07-5), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: [(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate.
Chemical Property Profile of 5'-O-methylmelledonal
Property Insights of 5'-O-methylmelledonal
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-O-methylmelledonal. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-O-methylmelledonal. Following Lipinski's Rule of Five, 5'-O-methylmelledonal has 4 hydrogen bond donor(s) and 8 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 5'-O-methylmelledonal?
The CAS number of 5'-O-methylmelledonal is 112471-07-5.
What is the molecular formula of 5'-O-methylmelledonal?
The molecular formula of 5'-O-methylmelledonal is C24H30O8.
What is the molecular weight of 5'-O-methylmelledonal?
The molecular weight of 5'-O-methylmelledonal is 446.19 g/mol.
Where can I buy 5'-O-methylmelledonal?
You can request a quote for 5'-O-methylmelledonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-methylmelledonal?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-methylmelledonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.