rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid
TL;DR: rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid (CAS 1049980-51-9) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
Also Known As: (3S,4R)-4-(3-thienyl)pyrrolidine-3-carboxylic acid, rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-thiophen-3-ylpyrrolidine-3-carboxylic Acid, (3S,4R)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid, (3S,4R)-4-(THIOPHEN-3-YL)PYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.1357 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 296.57315 |
Chemical Identifiers
| CAS Number | 1049980-51-9 |
|---|---|
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CSC=C2 |
Product Overview
rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid (CAS 1049980-51-9), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: (3S,4R)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid.
Chemical Property Profile of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid
Property Insights of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid
The XLogP value of 1.1357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 49.33 Ų, rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid has 2 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 rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid?
The CAS number of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid is 1049980-51-9.
What is the molecular formula of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid?
The molecular formula of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid is C9H11NO2S.
What is the molecular weight of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid?
The molecular weight of rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid is 197.05 g/mol.
Where can I buy rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid?
You can request a quote for rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for rac-(3R,4S)-4-(thiophen-3-yl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.