Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate
TL;DR: Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate (CAS 1009672-19-8) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
Also Known As: methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate, methyl 1-{[4-(2-methylpropoxy)phenyl]carbonyl}prolinate, methyl 1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
Technical Specifications
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.16272 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.16272 Da |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)OC |
| InChIKey | JOPLXLADHGSXTL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate
Property Insights of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate has 0 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 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate?
The CAS number of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate is 1009672-19-8.
What is the molecular formula of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular formula of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate is C17H23NO4.
What is the molecular weight of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular weight of Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate is 305.16272 g/mol.
Where can I buy Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate?
You can request a quote for Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-(4-isobutoxybenzoyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.