Oxythiamine amyl disulfide
TL;DR: Oxythiamine amyl disulfide (CAS 84714-57-8) is a chemical compound with molecular formula C17H27N3O3S2 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-hydroxy-3-(pentyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Also Known As: Oxythiamine amyl disulfide
| Molecular Formula | C17H27N3O3S2 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 385.14938 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 84714-57-8 |
|---|---|
| SMILES | CCCCCSSC(=C(C)N(CC1=CN=C(NC1=O)C)C=O)CCO |
| InChIKey | VZQKQFJEQRWLDJ-UHFFFAOYSA-N |
Product Overview
Oxythiamine amyl disulfide (CAS 84714-57-8), with molecular formula C17H27N3O3S2 and molecular weight 385.15 g/mol. IUPAC: N-[5-hydroxy-3-(pentyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
Chemical Property Profile of Oxythiamine amyl disulfide
Property Insights of Oxythiamine amyl disulfide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxythiamine amyl disulfide. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxythiamine amyl disulfide. Following Lipinski's Rule of Five, Oxythiamine amyl 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 amyl disulfide?
The CAS number of Oxythiamine amyl disulfide is 84714-57-8.
What is the molecular formula of Oxythiamine amyl disulfide?
The molecular formula of Oxythiamine amyl disulfide is C17H27N3O3S2.
What is the molecular weight of Oxythiamine amyl disulfide?
The molecular weight of Oxythiamine amyl disulfide is 385.15 g/mol.
Where can I buy Oxythiamine amyl disulfide?
You can request a quote for Oxythiamine amyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine amyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine amyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.