4-Pyrrolidin-1-ylbut-2-ynoic acid
TL;DR: 4-Pyrrolidin-1-ylbut-2-ynoic acid (CAS 38346-98-4) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynoic acid
Also Known As: 1-Pyrrolidinetetrolic acid, 4- -2-butynoicacid, 4-Pyrrolidinotetrolic acid, 4-pyrrolidin-1-ylbut-2-ynoic acid, 4-Pyrrolidinobut-2-ynoic-acid
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 38346-98-4 |
|---|---|
| SMILES | C1CCN(C1)CC#CC(=O)O |
| InChIKey | BJFBOTPLASYWPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyrrolidin-1-ylbut-2-ynoic acid (CAS 38346-98-4), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynoic acid.
Chemical Property Profile of 4-Pyrrolidin-1-ylbut-2-ynoic acid
Property Insights of 4-Pyrrolidin-1-ylbut-2-ynoic acid
The XLogP value of -1.5 indicates that 4-Pyrrolidin-1-ylbut-2-ynoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Pyrrolidin-1-ylbut-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrrolidin-1-ylbut-2-ynoic acid 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-Pyrrolidin-1-ylbut-2-ynoic acid?
The CAS number of 4-Pyrrolidin-1-ylbut-2-ynoic acid is 38346-98-4.
What is the molecular formula of 4-Pyrrolidin-1-ylbut-2-ynoic acid?
The molecular formula of 4-Pyrrolidin-1-ylbut-2-ynoic acid is C8H11NO2.
What is the molecular weight of 4-Pyrrolidin-1-ylbut-2-ynoic acid?
The molecular weight of 4-Pyrrolidin-1-ylbut-2-ynoic acid is 153.08 g/mol.
Where can I buy 4-Pyrrolidin-1-ylbut-2-ynoic acid?
You can request a quote for 4-Pyrrolidin-1-ylbut-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrrolidin-1-ylbut-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrrolidin-1-ylbut-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.