Oxythiamine disulfide monosulfoxide
TL;DR: Oxythiamine disulfide monosulfoxide (CAS 129228-57-5) is a chemical compound with molecular formula C24H32N6O7S2 and molecular weight 580.18 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]sulfinylsulfanyl-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: OTDMS, Oxythiamine disulfide monosulfoxide, N-((1,4-Dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(2-(((2-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)sulfinyl)thio)-4-hydroxy-1-methyl-1-butenyl)formamide, N-[(Z)-3-[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]sulfinylsulfanyl-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide, Formamide, N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(2-(((2-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)sulfinyl)thio)-4-hydroxy-1-methyl-1-butenyl)-
| Molecular Formula | C24H32N6O7S2 |
|---|---|
| Molecular Weight | 580.18 g/mol |
| LogP | 0.71174 |
| Topological Polar Surface Area | 189.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 580.17737 |
| Heavy Atoms | 39 |
| Complexity | 1385.509 |
Chemical Identifiers
| CAS Number | 129228-57-5 |
|---|---|
| SMILES | CC1=NC=C(C(=O)N1)CN(C=O)/C(=C(/CCO)\SS(=O)/C(=C(/C)\N(CC2=CN=C(NC2=O)C)C=O)/CCO)/C |
Product Overview
Oxythiamine disulfide monosulfoxide (CAS 129228-57-5), with molecular formula C24H32N6O7S2 and molecular weight 580.18 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]sulfinylsulfanyl-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine disulfide monosulfoxide
Property Insights of Oxythiamine disulfide monosulfoxide
The XLogP value of 0.71174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxythiamine disulfide monosulfoxide. The TPSA of 189.65 Ų indicates high polarity, suggesting Oxythiamine disulfide monosulfoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxythiamine disulfide monosulfoxide 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 monosulfoxide?
The CAS number of Oxythiamine disulfide monosulfoxide is 129228-57-5.
What is the molecular formula of Oxythiamine disulfide monosulfoxide?
The molecular formula of Oxythiamine disulfide monosulfoxide is C24H32N6O7S2.
What is the molecular weight of Oxythiamine disulfide monosulfoxide?
The molecular weight of Oxythiamine disulfide monosulfoxide is 580.18 g/mol.
Where can I buy Oxythiamine disulfide monosulfoxide?
You can request a quote for Oxythiamine disulfide monosulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine disulfide monosulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine disulfide monosulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.