Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-
TL;DR: Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- (CAS 83962-37-2) is a chemical compound with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Also Known As: 6-Chloro-1'-methylspiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-, 5-chloro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione, 6-Chloro-1'-methyl-3H-spiro[[2]benzofuran-1,2'-pyrrolidine]-3-thione, 6-Chloro-1'-methyl-3H-spiro[2-benzofuran-1,2'-pyrrolidine]-3-thione
| Molecular Formula | C12H12ClNOS |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 2.9241 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.0328 |
| Heavy Atoms | 16 |
| Complexity | 476.0866 |
Chemical Identifiers
| CAS Number | 83962-37-2 |
|---|---|
| SMILES | CN1CCCC12C3=C(C=CC(=C3)Cl)C(=S)O2 |
Product Overview
Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- (CAS 83962-37-2), with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol. IUPAC: 5-chloro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione.
Chemical Property Profile of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-
Property Insights of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-
The XLogP value of 2.9241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-. With a topological polar surface area (TPSA) of 12.47 Ų, Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- 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, 6-chloro-1'-methyl- 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, 6-chloro-1'-methyl-?
The CAS number of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- is 83962-37-2.
What is the molecular formula of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-?
The molecular formula of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- is C12H12ClNOS.
What is the molecular weight of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-?
The molecular weight of Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- is 253.03 g/mol.
Where can I buy Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl-?
You can request a quote for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- 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, 6-chloro-1'-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzo(c)thiophene-1(3H),2'-pyrrolidin)-3-one, 6-chloro-1'-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.