3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide
TL;DR: 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide (CAS 296266-17-6) is a chemical compound with molecular formula C11H6ClF3N2O2S and molecular weight 321.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N'-(2,2,2-trifluoroacetyl)-1-benzothiophene-2-carbohydrazide
Also Known As: BAS 00336429, 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide, 3-Chlorobenzo[b]thiophene-2-carboxylic acid 2-(2,2,2-trifluoroacetyl)hydrazide, 3-chloro-N'-(2,2,2-trifluoroacetyl)-1-benzothiophene-2-carbohydrazide, 3-chloro-N'-(trifluoroacetyl)-1-benzo[b]thiophene-2-carbohydrazide
| Molecular Formula | C11H6ClF3N2O2S |
|---|---|
| Molecular Weight | 321.98 g/mol |
| LogP | 2.878 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.97906 |
| Heavy Atoms | 20 |
| Complexity | 683.8483 |
Chemical Identifiers
| CAS Number | 296266-17-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=O)C(F)(F)F)Cl |
Product Overview
3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide (CAS 296266-17-6), with molecular formula C11H6ClF3N2O2S and molecular weight 321.98 g/mol. IUPAC: 3-chloro-N'-(2,2,2-trifluoroacetyl)-1-benzothiophene-2-carbohydrazide.
Chemical Property Profile of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide
Property Insights of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide
The XLogP value of 2.878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide. With a topological polar surface area (TPSA) of 58.2 Ų, 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide 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 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide?
The CAS number of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide is 296266-17-6.
What is the molecular formula of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide?
The molecular formula of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide is C11H6ClF3N2O2S.
What is the molecular weight of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide?
The molecular weight of 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide is 321.98 g/mol.
Where can I buy 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide?
You can request a quote for 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide 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'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N'-(trifluoroacetyl)-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.