![5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one structure](/static/products/902/902254-94-8.webp)
5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
TL;DR: 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one (CAS 902254-94-8) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.07712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
Also Known As: 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one, F3294-0091, 5-chloro-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-benzoxazol-2-one, 5-chloro-3-(2-oxo-2-(2-1,2,3,4-tetrahydroisoquinolyl)ethyl)-3-hydrobenzoxazol- 2-one, 5-chloro-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Technical Specifications
| Molecular Formula | C18H15ClN2O3 |
| Molecular Weight | 342.07712 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.07712 Da |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN3C4=C(C=CC(=C4)Cl)OC3=O |
| InChIKey | JGTACXXHTVEJLZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
Property Insights of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
The XLogP value of 3.0 indicates that 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-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
What is the CAS number of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one?
The CAS number of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one is 902254-94-8.
What is the molecular formula of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one?
The molecular formula of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one is C18H15ClN2O3.
What is the molecular weight of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one?
The molecular weight of 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one is 342.07712 g/mol.
Where can I buy 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one?
You can request a quote for 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 5-chloro-3-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.