Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-
TL;DR: Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- (CAS 83982-99-4) is a chemical compound with molecular formula C13H14ClNOS and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1'-ethylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Also Known As: 5-Chloro-1'-ethylspiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-, 6-chloro-1'-ethylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione, 5-Chloro-1'-ethyl-3H-spiro[[2]benzofuran-1,2'-pyrrolidine]-3-thione, 5-Chloro-1'-ethyl-3H-spiro[2-benzofuran-1,2'-pyrrolidine]-3-thione
| Molecular Formula | C13H14ClNOS |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.3142 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.04846 |
| Heavy Atoms | 17 |
| Complexity | 490.30786 |
Chemical Identifiers
| CAS Number | 83982-99-4 |
|---|---|
| SMILES | CCN1CCCC12C3=C(C=C(C=C3)Cl)C(=S)O2 |
Product Overview
Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- (CAS 83982-99-4), with molecular formula C13H14ClNOS and molecular weight 267.05 g/mol. IUPAC: 6-chloro-1'-ethylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione.
Chemical Property Profile of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-
Property Insights of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-
The XLogP value of 3.3142 indicates that Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- 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 Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-?
The CAS number of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- is 83982-99-4.
What is the molecular formula of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-?
The molecular formula of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- is C13H14ClNOS.
What is the molecular weight of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-?
The molecular weight of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- is 267.05 g/mol.
Where can I buy Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-?
You can request a quote for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 5-chloro-1'-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.