Melledonal C
TL;DR: Melledonal C (CAS 136994-87-1) is a chemical compound with molecular formula C24H29ClO8 and molecular weight 480.16 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] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Also Known As: Melledonal C, Melledonals C, KST-1A1212, J1.405.820F, (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 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
| Molecular Formula | C24H29ClO8 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.1551 |
| Heavy Atoms | 33 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 136994-87-1 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=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 |
| InChIKey | RCBZBPPFXBBNCD-IQEKTTGQSA-N |
Product Overview
Melledonal C (CAS 136994-87-1), with molecular formula C24H29ClO8 and molecular weight 480.16 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] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate.
Chemical Property Profile of Melledonal C
Property Insights of Melledonal C
The XLogP value of 3.1 indicates that Melledonal C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Melledonal C. Following Lipinski's Rule of Five, Melledonal C 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 Melledonal C?
The CAS number of Melledonal C is 136994-87-1.
What is the molecular formula of Melledonal C?
The molecular formula of Melledonal C is C24H29ClO8.
What is the molecular weight of Melledonal C?
The molecular weight of Melledonal C is 480.16 g/mol.
Where can I buy Melledonal C?
You can request a quote for Melledonal C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melledonal C?
Yes, KEHONG BIO provides custom synthesis services for Melledonal C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.