![(3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone structure](/static/products/5226/522620-90-2.webp)
(3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
TL;DR: (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone (CAS 522620-90-2) is a chemical compound with molecular formula C14H10Cl2F2N2O2S and molecular weight 377.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
Also Known As: (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone, (3,4-dichloro-1-benzothiophen-2-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone, (3,4-dichlorobenzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone, 3,4-dichlorobenzo[b]thiophen-2-yl 5-(difluoromethyl)-5-hydroxy-3-methyl(2-pyra zolinyl) ketone
| Molecular Formula | C14H10Cl2F2N2O2S |
|---|---|
| Molecular Weight | 377.98 g/mol |
| LogP | 4.3836 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.9808 |
| Heavy Atoms | 23 |
| Complexity | 839.53674 |
Chemical Identifiers
| CAS Number | 522620-90-2 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)F)O)C(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl |
Product Overview
(3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone (CAS 522620-90-2), with molecular formula C14H10Cl2F2N2O2S and molecular weight 377.98 g/mol. IUPAC: (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
Property Insights of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
The XLogP value of 4.3836 indicates that (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone 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 (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
The CAS number of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone is 522620-90-2.
What is the molecular formula of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
The molecular formula of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone is C14H10Cl2F2N2O2S.
What is the molecular weight of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
The molecular weight of (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone is 377.98 g/mol.
Where can I buy (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
You can request a quote for (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dichloro-1-benzothiophen-2-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.