![1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine structure](/static/products/2894/289494-19-5.webp)
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine
TL;DR: 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine (CAS 289494-19-5) is a chemical compound with molecular formula C13H12ClNOS and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
Also Known As: TimTec1_005189, (3-chloro-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone, 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine, BB 0244121
| Molecular Formula | C13H12ClNOS |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.0328 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 289494-19-5 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | RJDSNCQMQAZJON-UHFFFAOYSA-N |
Product Overview
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine (CAS 289494-19-5), with molecular formula C13H12ClNOS and molecular weight 265.03 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine
Property Insights of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine
The XLogP value of 3.8 indicates that 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine has 0 hydrogen bond donor(s) and 2 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 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine?
The CAS number of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine is 289494-19-5.
What is the molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine?
The molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine is C13H12ClNOS.
What is the molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine?
The molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine is 265.03 g/mol.
Where can I buy 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine?
You can request a quote for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.