![4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/5839/5839-64-5.webp)
4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 5839-64-5) is a chemical compound with molecular formula C25H26BrN5OS and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromoanilino)-2-sulfanylidene-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-{4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[4-(4-bromoanilino)-2-sulfanylidene-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[1-(4-bromoanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[4-(4-Bromoanilino)-2-sulfanylidene-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C25H26BrN5OS |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 5.56532 |
| Topological Polar Surface Area | 54.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 523.1041 |
| Heavy Atoms | 33 |
| Complexity | 1286.8267 |
Chemical Identifiers
| CAS Number | 5839-64-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)N=C(C34CCCCC4)NC5=CC=C(C=C5)Br |
Product Overview
4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 5839-64-5), with molecular formula C25H26BrN5OS and molecular weight 523.10 g/mol. IUPAC: 4-[4-(4-bromoanilino)-2-sulfanylidene-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 5.56532 indicates that 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.56 Ų, 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 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 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 5839-64-5.
What is the molecular formula of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C25H26BrN5OS.
What is the molecular weight of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 523.10 g/mol.
Where can I buy 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.