![N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide structure](/static/products/5148/514856-62-3.webp)
N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 514856-62-3) is a chemical compound with molecular formula C21H17BrClN3OS and molecular weight 473.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide, N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide, N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-chloro-benzothiophene-2-carboxamide, N-{1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl}(3-chlorobenzo[b]thiophe n-2-yl)carboxamide
| Molecular Formula | C21H17BrClN3OS |
|---|---|
| Molecular Weight | 473.00 g/mol |
| LogP | 6.43114 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.99643 |
| Heavy Atoms | 28 |
| Complexity | 1180.5543 |
Chemical Identifiers
| CAS Number | 514856-62-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 514856-62-3), with molecular formula C21H17BrClN3OS and molecular weight 473.00 g/mol. IUPAC: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 6.43114 indicates that N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide is 514856-62-3.
What is the molecular formula of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide is C21H17BrClN3OS.
What is the molecular weight of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide is 473.00 g/mol.
Where can I buy N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.