Oxythiamine nonyl disulfide
TL;DR: Oxythiamine nonyl disulfide (CAS 84714-61-4) is a chemical compound with molecular formula C21H35N3O3S2 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine nonyl disulfide, Formamide, N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(nonyldithio)-1-butenyl)-, N-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]formamide, N-[(Z)-1-Methyl-2-nonyldithio-4-hydroxy-1-butenyl]-N-(2-methyl-4-hydroxypyrimidin-5-ylmethyl)formamide, N-[(Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
| Molecular Formula | C21H35N3O3S2 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 4.78262 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 441.21198 |
| Heavy Atoms | 29 |
| Complexity | 691.994 |
Chemical Identifiers
| CAS Number | 84714-61-4 |
|---|---|
| SMILES | CCCCCCCCCSS/C(=C(/C)\N(CC1=CN=C(NC1=O)C)C=O)/CCO |
Product Overview
Oxythiamine nonyl disulfide (CAS 84714-61-4), with molecular formula C21H35N3O3S2 and molecular weight 441.21 g/mol. IUPAC: N-[(Z)-5-hydroxy-3-(nonyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine nonyl disulfide
Property Insights of Oxythiamine nonyl disulfide
The XLogP value of 4.78262 indicates that Oxythiamine nonyl 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 nonyl disulfide. Following Lipinski's Rule of Five, Oxythiamine nonyl 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 nonyl disulfide?
The CAS number of Oxythiamine nonyl disulfide is 84714-61-4.
What is the molecular formula of Oxythiamine nonyl disulfide?
The molecular formula of Oxythiamine nonyl disulfide is C21H35N3O3S2.
What is the molecular weight of Oxythiamine nonyl disulfide?
The molecular weight of Oxythiamine nonyl disulfide is 441.21 g/mol.
Where can I buy Oxythiamine nonyl disulfide?
You can request a quote for Oxythiamine nonyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine nonyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine nonyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.