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3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
TL;DR: 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one (CAS 168083-67-8) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one
Also Known As: 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one, 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one, 3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one, Pyrrolidine, 1-[(2-oxo-3(2H)-benzoxazolyl)acetyl]-, 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,3-benzoxazol-2-one
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.2169 |
| Topological Polar Surface Area | 55.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 634.96893 |
Chemical Identifiers
| CAS Number | 168083-67-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CN2C3=CC=CC=C3OC2=O |
Product Overview
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one (CAS 168083-67-8), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
Property Insights of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
The XLogP value of 1.2169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 55.45 Ų, 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one has 0 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 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one is 168083-67-8.
What is the molecular formula of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one is C13H14N2O3.
What is the molecular weight of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one is 246.10 g/mol.
Where can I buy 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.