C13H22N3O2S2.Cl
TL;DR: C13H22N3O2S2.Cl (CAS 80337-63-9) is a chemical compound with molecular formula C13H22ClN3O2S2 and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride
Also Known As: 3-(((2-(2-(Acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethylsulfonium chloride, Sulfonium, 3-(((2-(2-(acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethyl-, chloride, 3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride, 3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium,chloride
| Molecular Formula | C13H22ClN3O2S2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | -2.1765 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.0842 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 80337-63-9 |
|---|---|
| SMILES | CC(=O)NCCC1=NC(=CS1)C(=O)NCCC[S+](C)C.[Cl-] |
| InChIKey | BEPLKNLKTCLPAD-UHFFFAOYSA-N |
Product Overview
C13H22N3O2S2.Cl (CAS 80337-63-9), with molecular formula C13H22ClN3O2S2 and molecular weight 351.08 g/mol. IUPAC: 3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride.
Chemical Property Profile of C13H22N3O2S2.Cl
Property Insights of C13H22N3O2S2.Cl
The XLogP value of -2.1765 indicates that C13H22N3O2S2.Cl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H22N3O2S2.Cl. Following Lipinski's Rule of Five, C13H22N3O2S2.Cl has 2 hydrogen bond donor(s) and 5 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 C13H22N3O2S2.Cl?
The CAS number of C13H22N3O2S2.Cl is 80337-63-9.
What is the molecular formula of C13H22N3O2S2.Cl?
The molecular formula of C13H22N3O2S2.Cl is C13H22ClN3O2S2.
What is the molecular weight of C13H22N3O2S2.Cl?
The molecular weight of C13H22N3O2S2.Cl is 351.08 g/mol.
Where can I buy C13H22N3O2S2.Cl?
You can request a quote for C13H22N3O2S2.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H22N3O2S2.Cl?
Yes, KEHONG BIO provides custom synthesis services for C13H22N3O2S2.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.