TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
TL;DR: TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide (CAS 137-86-0) is a chemical compound with molecular formula C23H36N4O5S3 and molecular weight 544.18475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-acetylsulfanyl-8-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate
Also Known As: octotiamine, methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidi, TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide, methyl 6-(acetylsulfanyl)-8-[(2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-hydroxypent-2-en-3-yl)disulfanyl]octanoate, methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H36N4O5S3 |
| Molecular Weight | 544.18475 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 544.18475 Da |
| Heavy Atoms | 35 |
| Complexity | 698.0 |
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCCC(CCCCC(=O)OC)SC(=O)C)C |
| InChIKey | VJTXQHYNRDGLON-UHFFFAOYSA-N |
Chemical Property Profile of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
Property Insights of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide. The TPSA of 212.0 Ų indicates high polarity, suggesting TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide has 2 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 TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide?
The CAS number of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide is 137-86-0.
What is the molecular formula of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide?
The molecular formula of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide is C23H36N4O5S3.
What is the molecular weight of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide?
The molecular weight of TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide is 544.18475 g/mol.
Where can I buy TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide?
You can request a quote for TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide?
Yes, CoreyChem provides custom synthesis services for TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.