![1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one structure](/static/products/869/86938-59-2.png)
1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 86938-59-2) is a chemical compound with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino]-2-phenylpyrazol-3-one
Also Known As: 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, F1345-0042, 4-((3,5-diisopropyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 1,5-dimethyl-4-[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino]-2-phenylpyrazol-3-one, 4-{[3,5-bis(methylethyl)-4-oxocyclohexa-2,5-dienylidene]azamethyl}-2,3-dimethy l-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C23H27N3O2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 4.30442 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.21033 |
| Heavy Atoms | 28 |
| Complexity | 1031.2573 |
Chemical Identifiers
| CAS Number | 86938-59-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(C(=O)C(=C3)C(C)C)C(C)C |
Product Overview
1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 86938-59-2), with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol. IUPAC: 1,5-dimethyl-4-[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino]-2-phenylpyrazol-3-one.
Chemical Property Profile of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of 4.30442 indicates that 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-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, 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-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 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 86938-59-2.
What is the molecular formula of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is C23H27N3O2.
What is the molecular weight of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 377.21 g/mol.
Where can I buy 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-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 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.