2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
TL;DR: 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- (CAS 27807-95-0) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-phenyliminopyrazol-3-one
Also Known As: 5-methyl-2-phenyl-4-phenyliminopyrazol-3-one, 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-, 3-Methyl-1-phenyl-4-(phenylimino)-1H-pyrazol-5(4H)-one, 2,4-dihydro-5-methyl-2-phenyl-4-3h-pyrazol-3-one, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-
| Molecular Formula | C16H13N3O |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10587 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 27807-95-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=NC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | UCPXEXHZKICDCS-UHFFFAOYSA-N |
Product Overview
2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- (CAS 27807-95-0), with molecular formula C16H13N3O and molecular weight 263.11 g/mol. IUPAC: 5-methyl-2-phenyl-4-phenyliminopyrazol-3-one.
Chemical Property Profile of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
Property Insights of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-. With a topological polar surface area (TPSA) of 45.0 Ų, 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- 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 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-?
The CAS number of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- is 27807-95-0.
What is the molecular formula of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-?
The molecular formula of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- is C16H13N3O.
What is the molecular weight of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-?
The molecular weight of 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- is 263.11 g/mol.
Where can I buy 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-?
You can request a quote for 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.