Thiomarinol B
TL;DR: Thiomarinol B (CAS 156098-43-0) is a chemical compound with molecular formula C30H44N2O11S2 and molecular weight 672.23865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-oxo-8-[(2,2,5-trioxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
Also Known As: thiomarinol B, (5S)-1,5-anhydro-2-deoxy-5-[(1R,2E)-4-({8-[(2,2-dioxido-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl}oxy)-1-hydroxy-2-methyl-4-oxobut-2-en-1-yl]-2-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]-L-arabinitol, (8-oxo-8-((2,2,5-trioxo-4H-dithiolo(4,3-b)pyrrol-6-yl)amino)octyl) (E,4R)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-((E,4R,5S)-5-hydroxy-4-methylhex-2-enyl)oxan-2-yl)-4-hydroxy-3-methylbut-2-enoate, [8-oxo-8-[(2,2,5-trioxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate, 8-[(2,2-dioxido-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E,4R)-4-{(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]tetrahydro-2H-pyran-2-yl}-4-hydroxy-3-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C30H44N2O11S2 |
| Molecular Weight | 672.23865 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 672.23865 Da |
| Heavy Atoms | 45 |
| Complexity | 1320.0 |
| SMILES | C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CS(=O)(=O)S3)NC2=O)/C)O)[C@H](C)O |
| InChIKey | DVQBKROGZULVGL-XVYZEKPJSA-N |
Chemical Property Profile of Thiomarinol B
Property Insights of Thiomarinol B
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiomarinol B. The TPSA of 242.0 Ų indicates high polarity, suggesting Thiomarinol B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiomarinol B has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thiomarinol B?
The CAS number of Thiomarinol B is 156098-43-0.
What is the molecular formula of Thiomarinol B?
The molecular formula of Thiomarinol B is C30H44N2O11S2.
What is the molecular weight of Thiomarinol B?
The molecular weight of Thiomarinol B is 672.23865 g/mol.
Where can I buy Thiomarinol B?
You can request a quote for Thiomarinol B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiomarinol B?
Yes, CoreyChem provides custom synthesis services for Thiomarinol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.