Methyl 1-pyrrolidinebutanoate
TL;DR: Methyl 1-pyrrolidinebutanoate (CAS 22041-24-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-pyrrolidin-1-ylbutanoate
Also Known As: Methyl pyrrolidine-1-butyrate, methyl 4-pyrrolidin-1-ylbutanoate, Methyl 1-pyrrolidinebutanoate, methyl gamma-pyrrolidinobutyrate, methyl gamma-pyrrolidino-butyrate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 22041-24-3 |
|---|---|
| SMILES | COC(=O)CCCN1CCCC1 |
| InChIKey | YUWSENDKBFKEMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-pyrrolidinebutanoate (CAS 22041-24-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 4-pyrrolidin-1-ylbutanoate.
Chemical Property Profile of Methyl 1-pyrrolidinebutanoate
Property Insights of Methyl 1-pyrrolidinebutanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-pyrrolidinebutanoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 1-pyrrolidinebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-pyrrolidinebutanoate has 0 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 Methyl 1-pyrrolidinebutanoate?
The CAS number of Methyl 1-pyrrolidinebutanoate is 22041-24-3.
What is the molecular formula of Methyl 1-pyrrolidinebutanoate?
The molecular formula of Methyl 1-pyrrolidinebutanoate is C9H17NO2.
What is the molecular weight of Methyl 1-pyrrolidinebutanoate?
The molecular weight of Methyl 1-pyrrolidinebutanoate is 171.13 g/mol.
Where can I buy Methyl 1-pyrrolidinebutanoate?
You can request a quote for Methyl 1-pyrrolidinebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-pyrrolidinebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-pyrrolidinebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.