(3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride
TL;DR: (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride (CAS 80337-67-3) is a chemical compound with molecular formula C18H27ClN4O2S3 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-(4-acetamidobutyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride
Also Known As: (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride, Sulfonium, (3-(((2'-(4-(acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethyl-, chloride, 3-[[2-[2-(4-acetamidobutyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride
| Molecular Formula | C18H27ClN4O2S3 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | -0.2728 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 462.09848 |
| Heavy Atoms | 28 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 80337-67-3 |
|---|---|
| SMILES | CC(=O)NCCCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C.[Cl-] |
| InChIKey | QATMASLHCQEIDU-UHFFFAOYSA-N |
Product Overview
(3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride (CAS 80337-67-3), with molecular formula C18H27ClN4O2S3 and molecular weight 462.10 g/mol. IUPAC: 3-[[2-[2-(4-acetamidobutyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride.
Chemical Property Profile of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride
Property Insights of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride
The XLogP value of -0.2728 indicates that (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride 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 (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride?
The CAS number of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride is 80337-67-3.
What is the molecular formula of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride?
The molecular formula of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride is C18H27ClN4O2S3.
What is the molecular weight of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride?
The molecular weight of (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride is 462.10 g/mol.
Where can I buy (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride?
You can request a quote for (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride?
Yes, KEHONG BIO provides custom synthesis services for (3-(((2'-(4-(Acetylamino)butyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.