2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride
TL;DR: 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride (CAS 3902-88-3) is a chemical compound with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]azanium chloride
Also Known As: N-Diethylaminoethylbenzoxazolone hydrochloride, 3-(2-(Diethylamino)ethyl)-2-benzoxazolinone hydrochloride, 2-BENZOXAZOLINONE, 3-(2-(DIETHYLAMINO)ETHYL)-, MONOHYDROCHLORIDE, diethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]azanium chloride, RefChem:256411
| Molecular Formula | C13H19ClN2O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | -2.48 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.1135 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 3902-88-3 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=CC=CC=C2OC1=O.[Cl-] |
| InChIKey | XYOUMBCYNYNOJR-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride (CAS 3902-88-3), with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol. IUPAC: diethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]azanium chloride.
Chemical Property Profile of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride
Property Insights of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride
The XLogP value of -2.48 indicates that 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride?
The CAS number of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride is 3902-88-3.
What is the molecular formula of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride?
The molecular formula of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride is C13H19ClN2O2.
What is the molecular weight of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride?
The molecular weight of 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride is 270.11 g/mol.
Where can I buy 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride?
You can request a quote for 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-(2-(diethylamino)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.