3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CAS 620571-68-8) is a chemical compound with molecular formula C13H11ClFNO3S2 and molecular weight 346.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide, F1439-0052, 3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-fluorobenzo[b]thiophene-2-carboxamide, (3-chloro-6-fluorobenzo[b]thiophen-2-yl)-N-(1-hydroxy-1-oxothiolan-3-yl)carbox amide, 3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide
| Molecular Formula | C13H11ClFNO3S2 |
|---|---|
| Molecular Weight | 346.99 g/mol |
| LogP | 2.6107 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.9853 |
| Heavy Atoms | 21 |
| Complexity | 831.29913 |
Chemical Identifiers
| CAS Number | 620571-68-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl |
Product Overview
3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CAS 620571-68-8), with molecular formula C13H11ClFNO3S2 and molecular weight 346.99 g/mol. IUPAC: 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide
The XLogP value of 2.6107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 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 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide is 620571-68-8.
What is the molecular formula of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide is C13H11ClFNO3S2.
What is the molecular weight of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide is 346.99 g/mol.
Where can I buy 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.