Oxythiamine heptyl disulfide
TL;DR: Oxythiamine heptyl disulfide (CAS 84714-59-0) is a chemical compound with molecular formula C19H31N3O3S2 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-(heptyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine heptyl disulfide, Formamide, N-((1,4-dihydro-2-methyl-3-oxo-5-pyrimidinyl)methyl)-N-(2-(heptyldithio)-4-hydroxy-1-methyl-1-butenyl)-, N-[(2Z)-3-(heptyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]formamide, N-[(Z)-1-Methyl-2-heptyldithio-4-hydroxy-1-butenyl]-N-(2-methyl-4-hydroxypyrimidin-5-ylmethyl)formamide, N-[(Z)-3-(heptyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
| Molecular Formula | C19H31N3O3S2 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 4.00242 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 413.1807 |
| Heavy Atoms | 27 |
| Complexity | 661.8451 |
Chemical Identifiers
| CAS Number | 84714-59-0 |
|---|---|
| SMILES | CCCCCCCSS/C(=C(/C)\N(CC1=CN=C(NC1=O)C)C=O)/CCO |
Product Overview
Oxythiamine heptyl disulfide (CAS 84714-59-0), with molecular formula C19H31N3O3S2 and molecular weight 413.18 g/mol. IUPAC: N-[(Z)-3-(heptyldisulfanyl)-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine heptyl disulfide
Property Insights of Oxythiamine heptyl disulfide
The XLogP value of 4.00242 indicates that Oxythiamine heptyl 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 heptyl disulfide. Following Lipinski's Rule of Five, Oxythiamine heptyl 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 heptyl disulfide?
The CAS number of Oxythiamine heptyl disulfide is 84714-59-0.
What is the molecular formula of Oxythiamine heptyl disulfide?
The molecular formula of Oxythiamine heptyl disulfide is C19H31N3O3S2.
What is the molecular weight of Oxythiamine heptyl disulfide?
The molecular weight of Oxythiamine heptyl disulfide is 413.18 g/mol.
Where can I buy Oxythiamine heptyl disulfide?
You can request a quote for Oxythiamine heptyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine heptyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine heptyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.