Hypercalin B
TL;DR: Hypercalin B (CAS 125583-45-1) is a chemical compound with molecular formula C33H42O5 and molecular weight 518.3032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-5-hydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-[hydroxy(phenyl)methylidene]-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Also Known As: Hypercalin B, (6E)-5-hydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-[hydroxy(phenyl)methylidene]-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione, (6E)-5-hydroxy-4-[[(1R,2S,5S)-2-hydroxy-5-isopropenyl-2-methyl-cyclopentyl]methyl]-6-[hydroxy(phenyl)methylene]-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione, (6E)-5-hydroxy-4-(((1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl)-6-(hydroxy(phenyl)methylidene)-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione, (6E)-5-hydroxy-4-(((1R,2S,5S)-2-hydroxy-5-isopropenyl-2-methyl-cyclopentyl)methyl)-6-(hydroxy(phenyl)methylene)-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Technical Specifications
| Molecular Formula | C33H42O5 |
| Molecular Weight | 518.3032 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.3032 Da |
| Heavy Atoms | 38 |
| Complexity | 1070.0 |
| SMILES | CC(=CCC1(C(=O)C(=C(/C(=C(/C2=CC=CC=C2)\O)/C1=O)O)C[C@@H]3[C@H](CC[C@]3(C)O)C(=C)C)CC=C(C)C)C |
| InChIKey | XMVYTWVWYJLUHK-LHHMKPCHSA-N |
Chemical Property Profile of Hypercalin B
Property Insights of Hypercalin B
The XLogP value of 7.5 indicates that Hypercalin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hypercalin B. Following Lipinski's Rule of Five, Hypercalin B has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hypercalin B?
The CAS number of Hypercalin B is 125583-45-1.
What is the molecular formula of Hypercalin B?
The molecular formula of Hypercalin B is C33H42O5.
What is the molecular weight of Hypercalin B?
The molecular weight of Hypercalin B is 518.3032 g/mol.
Where can I buy Hypercalin B?
You can request a quote for Hypercalin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hypercalin B?
Yes, CoreyChem provides custom synthesis services for Hypercalin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.