![1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime structure](/static/products/312/312512-75-7.png)
1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime
TL;DR: 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime (CAS 312512-75-7) is a chemical compound with molecular formula C17H11ClFNO2S and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-fluorophenyl)ethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: BAS 02052844, 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime, (E)-1-(4-fluorophenyl)ethanone O-(3-chlorobenzo[b]thiophene-2-carbonyl) oxime, A1953/0082124, [(E)-1-(4-fluorophenyl)ethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C17H11ClFNO2S |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 5.2748 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0183 |
| Heavy Atoms | 23 |
| Complexity | 902.6023 |
Chemical Identifiers
| CAS Number | 312512-75-7 |
|---|---|
| SMILES | C/C(=N\OC(=O)C1=C(C2=CC=CC=C2S1)Cl)/C3=CC=C(C=C3)F |
Product Overview
1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime (CAS 312512-75-7), with molecular formula C17H11ClFNO2S and molecular weight 347.02 g/mol. IUPAC: [(E)-1-(4-fluorophenyl)ethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime
Property Insights of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime
The XLogP value of 5.2748 indicates that 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime?
The CAS number of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime is 312512-75-7.
What is the molecular formula of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime?
The molecular formula of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime is C17H11ClFNO2S.
What is the molecular weight of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime?
The molecular weight of 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime is 347.02 g/mol.
Where can I buy 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime?
You can request a quote for 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)ethanone O-[(3-chloro-1-benzothien-2-yl)carbonyl]oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.