Oxythiamine octyl disulfide
TL;DR: Oxythiamine octyl disulfide (CAS 84714-60-3) is a chemical compound with molecular formula C20H33N3O3S2 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine octyl disulfide, Formamide, N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(octyldithio)-1-butenyl)-, N-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]formamide, N-[(Z)-1-Methyl-2-octyldithio-4-hydroxy-1-butenyl]-N-(2-methyl-4-hydroxypyrimidin-5-ylmethyl)formamide, N-[(Z)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
| Molecular Formula | C20H33N3O3S2 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 4.39252 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 427.19632 |
| Heavy Atoms | 28 |
| Complexity | 676.9049 |
Chemical Identifiers
| CAS Number | 84714-60-3 |
|---|---|
| SMILES | CCCCCCCCSS/C(=C(/C)\N(CC1=CN=C(NC1=O)C)C=O)/CCO |
Product Overview
Oxythiamine octyl disulfide (CAS 84714-60-3), with molecular formula C20H33N3O3S2 and molecular weight 427.20 g/mol. IUPAC: N-[(Z)-5-hydroxy-3-(octyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine octyl disulfide
Property Insights of Oxythiamine octyl disulfide
The XLogP value of 4.39252 indicates that Oxythiamine octyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxythiamine octyl disulfide. Following Lipinski's Rule of Five, Oxythiamine octyl disulfide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxythiamine octyl disulfide?
The CAS number of Oxythiamine octyl disulfide is 84714-60-3.
What is the molecular formula of Oxythiamine octyl disulfide?
The molecular formula of Oxythiamine octyl disulfide is C20H33N3O3S2.
What is the molecular weight of Oxythiamine octyl disulfide?
The molecular weight of Oxythiamine octyl disulfide is 427.20 g/mol.
Where can I buy Oxythiamine octyl disulfide?
You can request a quote for Oxythiamine octyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine octyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine octyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.