Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate
TL;DR: Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate (CAS 1208966-76-0) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
Also Known As: Belumosudil Impurity 32, Belumosudil Impurity 66, Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate, methyl 3-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
| SMILES | CC(C)NC(=O)COC1=CC=CC(=C1)C(=O)OC |
| InChIKey | ZKNAJMIKLJMZPI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate
Property Insights of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate. Following Lipinski's Rule of Five, Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate 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
What is the CAS number of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate?
The CAS number of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate is 1208966-76-0.
What is the molecular formula of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate?
The molecular formula of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate is C13H17NO4.
What is the molecular weight of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate?
The molecular weight of Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate is 251.11575 g/mol.
Where can I buy Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate?
You can request a quote for Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(2-(isopropylamino)-2-oxoethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.