(3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
TL;DR: (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 312309-87-8) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-nitro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: BAS 01173473, (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, (3-chloro-6-nitro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone, (3-Chloro-6-nitro-benzo[b]thiophen-2-yl)-(3,5-dimethyl-pyrazol-1-yl)-methanone, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 312309-87-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C |
| InChIKey | QTMKIWPNSQSGBK-UHFFFAOYSA-N |
Product Overview
(3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 312309-87-8), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Property Insights of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
The XLogP value of 4.4 indicates that (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone. Following Lipinski's Rule of Five, (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone has 0 hydrogen bond donor(s) and 5 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-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The CAS number of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 312309-87-8.
What is the molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is C14H10ClN3O3S.
What is the molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 335.01 g/mol.
Where can I buy (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
You can request a quote for (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-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-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-6-nitro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.