Oxythiamine disulfide
TL;DR: Oxythiamine disulfide (CAS 134028-70-9) is a chemical compound with molecular formula C24H32N6O6S2 and molecular weight 564.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine disulfide, N-[(Z)-3-[[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide, bis-{2-[formyl-(2-methyl-6-oxo-1,6-dihydro-pyrimidin-5-ylmethyl)-amino]-1-(2-hydroxy-ethyl)-propenyl}-disulfide, Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-, RefChem:169100
| Molecular Formula | C24H32N6O6S2 |
|---|---|
| Molecular Weight | 564.18 g/mol |
| LogP | 1.69624 |
| Topological Polar Surface Area | 172.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 564.1825 |
| Heavy Atoms | 38 |
| Complexity | 1206.2915 |
Chemical Identifiers
| CAS Number | 134028-70-9 |
|---|---|
| SMILES | CC1=NC=C(C(=O)N1)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(NC2=O)C)/C)/CCO)/CCO)/C)C=O |
Product Overview
Oxythiamine disulfide (CAS 134028-70-9), with molecular formula C24H32N6O6S2 and molecular weight 564.18 g/mol. IUPAC: N-[(Z)-3-[[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine disulfide
Property Insights of Oxythiamine disulfide
The XLogP value of 1.69624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxythiamine disulfide. The TPSA of 172.58 Ų indicates high polarity, suggesting Oxythiamine disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxythiamine disulfide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxythiamine disulfide?
The CAS number of Oxythiamine disulfide is 134028-70-9.
What is the molecular formula of Oxythiamine disulfide?
The molecular formula of Oxythiamine disulfide is C24H32N6O6S2.
What is the molecular weight of Oxythiamine disulfide?
The molecular weight of Oxythiamine disulfide is 564.18 g/mol.
Where can I buy Oxythiamine disulfide?
You can request a quote for Oxythiamine disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.