Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
TL;DR: Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate (CAS 1009726-32-2) is a chemical compound with molecular formula C15H18BrNO4 and molecular weight 355.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
Also Known As: ethyl 1-(3-bromo-4-methoxybenzoyl)prolinate, ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate, ethyl 1-[(3-bromo-4-methoxyphenyl)carbonyl]prolinate
| Molecular Formula | C15H18BrNO4 |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 2.6254 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.04193 |
| Heavy Atoms | 21 |
| Complexity | 546.4752 |
Chemical Identifiers
| CAS Number | 1009726-32-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN1C(=O)C2=CC(=C(C=C2)OC)Br |
Product Overview
Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate (CAS 1009726-32-2), with molecular formula C15H18BrNO4 and molecular weight 355.04 g/mol. IUPAC: ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
Property Insights of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
The XLogP value of 2.6254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-bromo-4-methoxybenzoyl)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 Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The CAS number of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate is 1009726-32-2.
What is the molecular formula of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular formula of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate is C15H18BrNO4.
What is the molecular weight of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The molecular weight of Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate is 355.04 g/mol.
Where can I buy Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
You can request a quote for Ethyl 1-(3-bromo-4-methoxybenzoyl)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 Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.