Thiamine Disulfide
TL;DR: Thiamine Disulfide (CAS 100502-51-0) is a chemical compound with molecular formula C24H34N8O4S2 and molecular weight 562.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
Also Known As: thiamine disulfide, Algoneurina, Daiomin, aneurin disulfide, thiamine disulphide
| Molecular Formula | C24H34N8O4S2 |
|---|---|
| Molecular Weight | 562.21 g/mol |
| LogP | 2.27404 |
| Topological Polar Surface Area | 184.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 562.2144 |
| Heavy Atoms | 38 |
| Complexity | 1100.5056 |
Chemical Identifiers
| CAS Number | 100502-51-0 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O |
Product Overview
Thiamine Disulfide (CAS 100502-51-0), with molecular formula C24H34N8O4S2 and molecular weight 562.21 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide.
Chemical Property Profile of Thiamine Disulfide
Property Insights of Thiamine Disulfide
The XLogP value of 2.27404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamine Disulfide. The TPSA of 184.68 Ų indicates high polarity, suggesting Thiamine Disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine Disulfide has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiamine Disulfide?
The CAS number of Thiamine Disulfide is 100502-51-0.
What is the molecular formula of Thiamine Disulfide?
The molecular formula of Thiamine Disulfide is C24H34N8O4S2.
What is the molecular weight of Thiamine Disulfide?
The molecular weight of Thiamine Disulfide is 562.21 g/mol.
Where can I buy Thiamine Disulfide?
You can request a quote for Thiamine Disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine Disulfide?
Yes, KEHONG BIO provides custom synthesis services for Thiamine Disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.