2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate
TL;DR: 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate (CAS 1002663-55-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(propan-2-ylamino)ethyl] 4-methylbenzoate
Also Known As: [(propan-2-yl)carbamoyl]methyl 4-methylbenzoate|2-oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate|[2-oxo-2-(propan-2-ylamino)ethyl] 4-methylbenzoate|2-(isopropylamino)-2-oxoethyl 4-methylbenzoate|F6609-1786|STL075373
Technical Specifications
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.12085 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 Da |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C |
| InChIKey | GUHABBJXZOKBLO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate
Property Insights of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate 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
What is the CAS number of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate?
The CAS number of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate is 1002663-55-9.
What is the molecular formula of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate?
The molecular formula of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate is C13H17NO3.
What is the molecular weight of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate?
The molecular weight of 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate is 235.12085 g/mol.
Where can I buy 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate?
You can request a quote for 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-2-(propan-2-ylamino)ethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.