Diacethiamine
TL;DR: Diacethiamine (CAS 299-89-8) is a chemical compound with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
Also Known As: Diacethiamine, Acetiamine, Diallyltryptamine, Acetiamina, Acetiaminum
| Molecular Formula | C16H22N4O4S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 366.13617 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 299-89-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C)SC(=O)C)C |
| InChIKey | ISIPQAHMLLFSFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacethiamine (CAS 299-89-8), with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol. IUPAC: [3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate.
Chemical Property Profile of Diacethiamine
Property Insights of Diacethiamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacethiamine. The TPSA of 141.0 Ų indicates high polarity, suggesting Diacethiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diacethiamine has 1 hydrogen bond donor(s) and 8 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 Diacethiamine?
The CAS number of Diacethiamine is 299-89-8.
What is the molecular formula of Diacethiamine?
The molecular formula of Diacethiamine is C16H22N4O4S.
What is the molecular weight of Diacethiamine?
The molecular weight of Diacethiamine is 366.14 g/mol.
Where can I buy Diacethiamine?
You can request a quote for Diacethiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacethiamine?
Yes, KEHONG BIO provides custom synthesis services for Diacethiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.