4-Hydroxythiomarinol C
TL;DR: 4-Hydroxythiomarinol C (CAS 146697-04-3) is a chemical compound with molecular formula C30H44N2O9S2 and molecular weight 640.24884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] 4-[3,4-dihydroxy-5-(5-hydroxy-4-methylhex-2-enyl)oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
Also Known As: Thiomarinol A, Thiomarinol, 4-Hydroxythiomarinol C, [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] 4-[3,4-dihydroxy-5-(5-hydroxy-4-methylhex-2-enyl)oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate, 2-Butenoic acid, 4-hydroxy-3-methyl-4-(tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl)-2H-pyran-2-yl)-, 8-((4,5-dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)amino)-8-oxooctyl ester
Technical Specifications
| Molecular Formula | C30H44N2O9S2 |
| Molecular Weight | 640.24884 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 640.24884 Da |
| Heavy Atoms | 43 |
| Complexity | 1120.0 |
| SMILES | CC(C=CCC1COC(C(C1O)O)C(C(=CC(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)C)O)C(C)O |
| InChIKey | JIEMCPGFAXNCQW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxythiomarinol C
Property Insights of 4-Hydroxythiomarinol C
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxythiomarinol C. The TPSA of 225.0 Ų indicates high polarity, suggesting 4-Hydroxythiomarinol C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxythiomarinol C has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Hydroxythiomarinol C?
The CAS number of 4-Hydroxythiomarinol C is 146697-04-3.
What is the molecular formula of 4-Hydroxythiomarinol C?
The molecular formula of 4-Hydroxythiomarinol C is C30H44N2O9S2.
What is the molecular weight of 4-Hydroxythiomarinol C?
The molecular weight of 4-Hydroxythiomarinol C is 640.24884 g/mol.
Where can I buy 4-Hydroxythiomarinol C?
You can request a quote for 4-Hydroxythiomarinol C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxythiomarinol C?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxythiomarinol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.