Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride
TL;DR: Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride (CAS 14627-04-4) is a chemical compound with molecular formula C13H18Cl2N2OS and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethylazanium chloride
Also Known As: 5-Chloro-2-((2-(diethylamino)ethyl)thio)benzoxazole hydrochloride, BENZOXAZOLE, 5-CHLORO-2-((2-(DIETHYLAMINO)ETHYL)THIO)-, MONOHYDROCHLORIDE, 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethylazanium chloride, RefChem:328274
| Molecular Formula | C13H18Cl2N2OS |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.0517 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 14627-04-4 |
|---|---|
| SMILES | CC[NH+](CC)CCSC1=NC2=C(O1)C=CC(=C2)Cl.[Cl-] |
| InChIKey | GLPGZBRWPMDKQL-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride (CAS 14627-04-4), with molecular formula C13H18Cl2N2OS and molecular weight 320.05 g/mol. IUPAC: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethylazanium chloride.
Chemical Property Profile of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride
Property Insights of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride
The XLogP value of -0.5 indicates that Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride has 1 hydrogen bond donor(s) and 4 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 Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride?
The CAS number of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride is 14627-04-4.
What is the molecular formula of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride?
The molecular formula of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride is C13H18Cl2N2OS.
What is the molecular weight of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride?
The molecular weight of Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride is 320.05 g/mol.
Where can I buy Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride?
You can request a quote for Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 5-chloro-2-((2-(diethylamino)ethyl)thio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.