N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394229-89-1) is a chemical compound with molecular formula C23H19Br2N3S and molecular weight 526.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,5-bis(4-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide
Also Known As: N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0742-0034, N-benzyl-3,5-bis(4-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide, N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydropyrazole-1-carbothioamide
| Molecular Formula | C23H19Br2N3S |
|---|---|
| Molecular Weight | 526.97 g/mol |
| LogP | 6.4374 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.9666 |
| Heavy Atoms | 29 |
| Complexity | 1018.2533 |
Chemical Identifiers
| CAS Number | 394229-89-1 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394229-89-1), with molecular formula C23H19Br2N3S and molecular weight 526.97 g/mol. IUPAC: N-benzyl-3,5-bis(4-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 6.4374 indicates that N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 394229-89-1.
What is the molecular formula of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is C23H19Br2N3S.
What is the molecular weight of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 526.97 g/mol.
Where can I buy N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.