Oxythiamine hexyl disulfide
TL;DR: Oxythiamine hexyl disulfide (CAS 84714-58-9) is a chemical compound with molecular formula C18H29N3O3S2 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-(hexyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine hexyl disulfide, Oxythiaminehexyldisulfide, N-[(Z)-3-(hexyldisulfanyl)-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-(hexyldithio)-4-hydroxy-1-methyl-1-butenyl)-, N-[(2Z)-3-(hexyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]formamide
| Molecular Formula | C18H29N3O3S2 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.61232 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 399.16504 |
| Heavy Atoms | 26 |
| Complexity | 646.81366 |
Chemical Identifiers
| CAS Number | 84714-58-9 |
|---|---|
| SMILES | CCCCCCSS/C(=C(/C)\N(CC1=CN=C(NC1=O)C)C=O)/CCO |
Product Overview
Oxythiamine hexyl disulfide (CAS 84714-58-9), with molecular formula C18H29N3O3S2 and molecular weight 399.17 g/mol. IUPAC: N-[(Z)-3-(hexyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine hexyl disulfide
Property Insights of Oxythiamine hexyl disulfide
The XLogP value of 3.61232 indicates that Oxythiamine hexyl 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 hexyl disulfide. Following Lipinski's Rule of Five, Oxythiamine hexyl 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 hexyl disulfide?
The CAS number of Oxythiamine hexyl disulfide is 84714-58-9.
What is the molecular formula of Oxythiamine hexyl disulfide?
The molecular formula of Oxythiamine hexyl disulfide is C18H29N3O3S2.
What is the molecular weight of Oxythiamine hexyl disulfide?
The molecular weight of Oxythiamine hexyl disulfide is 399.17 g/mol.
Where can I buy Oxythiamine hexyl disulfide?
You can request a quote for Oxythiamine hexyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine hexyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine hexyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.