(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone
TL;DR: (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone (CAS 588674-72-0) is a chemical compound with molecular formula C14H9Cl2FN2OS and molecular weight 341.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3,5-dimethylpyrazol-1-yl)-(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone
Also Known As: (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone, (4-chloro-3,5-dimethyl-pyrazol-1-yl)-(3-chloro-4-fluoro-benzothiophen-2-yl)methanone, (4-chloro-3,5-dimethylpyrazol-1-yl)-(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone, 4-chloro-3,5-dimethylpyrazolyl 3-chloro-4-fluorobenzo[b]thiophen-2-yl ketone, 1H-Pyrazole, 4-chloro-1-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-3,5-dimethyl- (9CI)
| Molecular Formula | C14H9Cl2FN2OS |
|---|---|
| Molecular Weight | 341.98 g/mol |
| LogP | 4.84904 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.97968 |
| Heavy Atoms | 21 |
| Complexity | 884.8519 |
Chemical Identifiers
| CAS Number | 588674-72-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl)C)Cl |
Product Overview
(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone (CAS 588674-72-0), with molecular formula C14H9Cl2FN2OS and molecular weight 341.98 g/mol. IUPAC: (4-chloro-3,5-dimethylpyrazol-1-yl)-(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone
Property Insights of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone
The XLogP value of 4.84904 indicates that (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone 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 (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone?
The CAS number of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone is 588674-72-0.
What is the molecular formula of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone?
The molecular formula of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone is C14H9Cl2FN2OS.
What is the molecular weight of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone?
The molecular weight of (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone is 341.98 g/mol.
Where can I buy (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone?
You can request a quote for (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-chloro-4-fluoro-1-benzothiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.