4-Acetamidophenyl pyrrolidine-1-carboxylate
TL;DR: 4-Acetamidophenyl pyrrolidine-1-carboxylate (CAS 701973-29-7) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) pyrrolidine-1-carboxylate
Also Known As: 4-acetamidophenyl pyrrolidine-1-carboxylate, (4-acetamidophenyl) pyrrolidine-1-carboxylate, BAS 08196495, 4-(acetylamino)phenyl pyrrolidinecarboxylate, Pyrrolidine-1-carboxylic acid 4-acetylamino-phenyl ester
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.2396 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 436.0545 |
Chemical Identifiers
| CAS Number | 701973-29-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)N2CCCC2 |
Product Overview
4-Acetamidophenyl pyrrolidine-1-carboxylate (CAS 701973-29-7), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (4-acetamidophenyl) pyrrolidine-1-carboxylate.
Chemical Property Profile of 4-Acetamidophenyl pyrrolidine-1-carboxylate
Property Insights of 4-Acetamidophenyl pyrrolidine-1-carboxylate
The XLogP value of 2.2396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamidophenyl pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, 4-Acetamidophenyl pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamidophenyl pyrrolidine-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 4-Acetamidophenyl pyrrolidine-1-carboxylate?
The CAS number of 4-Acetamidophenyl pyrrolidine-1-carboxylate is 701973-29-7.
What is the molecular formula of 4-Acetamidophenyl pyrrolidine-1-carboxylate?
The molecular formula of 4-Acetamidophenyl pyrrolidine-1-carboxylate is C13H16N2O3.
What is the molecular weight of 4-Acetamidophenyl pyrrolidine-1-carboxylate?
The molecular weight of 4-Acetamidophenyl pyrrolidine-1-carboxylate is 248.12 g/mol.
Where can I buy 4-Acetamidophenyl pyrrolidine-1-carboxylate?
You can request a quote for 4-Acetamidophenyl pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidophenyl pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidophenyl pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.