Thiamin propyl disulfide
TL;DR: Thiamin propyl disulfide (CAS 1086824-76-1) is a chemical compound with molecular formula C15H24N4O2S2 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
Also Known As: prosultiamine, Alinamin, Prosulthiamine, Arinamine, Tiotiamina
| Molecular Formula | C15H24N4O2S2 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.73092 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.13406 |
| Heavy Atoms | 23 |
| Complexity | 552.27844 |
Chemical Identifiers
| CAS Number | 1086824-76-1 |
|---|---|
| SMILES | CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO |
Product Overview
Thiamin propyl disulfide (CAS 1086824-76-1), with molecular formula C15H24N4O2S2 and molecular weight 356.13 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide.
Chemical Property Profile of Thiamin propyl disulfide
Property Insights of Thiamin propyl disulfide
The XLogP value of 2.73092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamin propyl disulfide. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamin propyl disulfide. Following Lipinski's Rule of Five, Thiamin propyl disulfide has 2 hydrogen bond donor(s) and 7 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 Thiamin propyl disulfide?
The CAS number of Thiamin propyl disulfide is 1086824-76-1.
What is the molecular formula of Thiamin propyl disulfide?
The molecular formula of Thiamin propyl disulfide is C15H24N4O2S2.
What is the molecular weight of Thiamin propyl disulfide?
The molecular weight of Thiamin propyl disulfide is 356.13 g/mol.
Where can I buy Thiamin propyl disulfide?
You can request a quote for Thiamin propyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamin propyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Thiamin propyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.