Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate
TL;DR: Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate (CAS 1009278-54-9) is a chemical compound with molecular formula C14H16BrNO4 and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
Also Known As: methyl 1-(3-bromo-4-methoxybenzoyl)prolinate, methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate, AN-329/42239463, methyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate, methyl 1-[(3-bromo-4-methoxyphenyl)carbonyl]prolinate
| Molecular Formula | C14H16BrNO4 |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 2.2353 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.02628 |
| Heavy Atoms | 20 |
| Complexity | 531.9052 |
Chemical Identifiers
| CAS Number | 1009278-54-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)OC)Br |
Product Overview
Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate (CAS 1009278-54-9), with molecular formula C14H16BrNO4 and molecular weight 341.03 g/mol. IUPAC: methyl 1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate
Property Insights of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate
The XLogP value of 2.2353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate 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-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate?
The CAS number of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate is 1009278-54-9.
What is the molecular formula of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate?
The molecular formula of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate is C14H16BrNO4.
What is the molecular weight of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate?
The molecular weight of Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate is 341.03 g/mol.
Where can I buy Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate?
You can request a quote for Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(3-bromo-4-methoxybenzoyl)-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.