2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine (CAS 16299-22-2) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine
Also Known As: 6-Methyl-4-phenylcoumarin, 2-benzooxazol-2-ylsulfanyl-N,N-diethyl-ethanamine, 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 16299-22-2 |
|---|---|
| SMILES | CCN(CC)CCSC1=NC2=CC=CC=C2O1 |
| InChIKey | VWTZBYPAVDTRBD-UHFFFAOYSA-N |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine (CAS 16299-22-2), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine
The XLogP value of 3.5 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine has 0 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 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine is 16299-22-2.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine is C13H18N2OS.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine is 250.11 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.