2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride
TL;DR: 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride (CAS 59384-75-7) is a chemical compound with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride
Also Known As: 3-Methyl-6-(3-piperidinopropionyl)-2-benzoxazolinone hydrochloride, 2-BENZOXAZOLINONE, 3-METHYL-6-(3-PIPERIDINOPROPIONYL)-, HYDROCHLORIDE, 3-Methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-onechloride, 3-Methyl-6-(3-piperidin-1-yl-propionyl)-3H-benzooxazol-2-one, 2(3H)-Benzoxazolone, 3-methyl-6-[1-oxo-3-(1-piperidinyl)propyl]-, monohydrochloride
| Molecular Formula | C16H21ClN2O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | -2.22 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.12408 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 59384-75-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)CC[NH+]3CCCCC3)OC1=O.[Cl-] |
| InChIKey | LGYDYIOFKKOACU-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride (CAS 59384-75-7), with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol. IUPAC: 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride.
Chemical Property Profile of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride
Property Insights of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride
The XLogP value of -2.22 indicates that 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride 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 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride?
The CAS number of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride is 59384-75-7.
What is the molecular formula of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride?
The molecular formula of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride is C16H21ClN2O3.
What is the molecular weight of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride?
The molecular weight of 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride is 324.12 g/mol.
Where can I buy 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride?
You can request a quote for 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride 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-methyl-6-(3-piperidinopropionyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.