![4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one structure](/static/products/4235/42352-87-4.webp)
4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
TL;DR: 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CAS 42352-87-4) is a chemical compound with molecular formula C17H13Br2N3O2 and molecular weight 448.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(3,5-dibromo-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one, 4-[(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone, 4-[(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one, 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H13Br2N3O2 |
|---|---|
| Molecular Weight | 448.94 g/mol |
| LogP | 3.69722 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.93744 |
| Heavy Atoms | 24 |
| Complexity | 955.2549 |
Chemical Identifiers
| CAS Number | 42352-87-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(C(=O)C(=C3)Br)Br |
Product Overview
4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CAS 42352-87-4), with molecular formula C17H13Br2N3O2 and molecular weight 448.94 g/mol. IUPAC: 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Property Insights of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
The XLogP value of 3.69722 indicates that 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 3 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 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The CAS number of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is 42352-87-4.
What is the molecular formula of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The molecular formula of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is C17H13Br2N3O2.
What is the molecular weight of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The molecular weight of 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is 448.94 g/mol.
Where can I buy 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
You can request a quote for 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-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-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.