Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate
TL;DR: Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate (CAS 1009544-98-2) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
Also Known As: methyl 1-{[4-(propan-2-yloxy)phenyl]carbonyl}prolinate, METHYL 1-(4-ISOPROPOXYBENZOYL)PYRROLIDINE-2-CARBOXYLATE, methyl 1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.2514 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 509.51318 |
Chemical Identifiers
| CAS Number | 1009544-98-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)OC |
Product Overview
Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate (CAS 1009544-98-2), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: methyl 1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate
Property Insights of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate
The XLogP value of 2.2514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-isopropoxybenzoyl)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
Frequently Asked Questions
What is the CAS number of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate?
The CAS number of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate is 1009544-98-2.
What is the molecular formula of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular formula of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate is C16H21NO4.
What is the molecular weight of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular weight of Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate is 291.15 g/mol.
Where can I buy Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate?
You can request a quote for Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.