1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone
TL;DR: 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone (CAS 27006-81-1) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-(phenyliminomethyl)-1H-pyrazol-3-one
Also Known As: 1,3-dimethyl-4-phenylaminomethylene-5-pyrazolone, 4-(anilinomethylidene)-2,5-dimethylpyrazol-3-one, 4-anilinomethylene-2,5-dimethyl-2,4-dihydro-pyrazol-3-one, (4Z)-4-(anilinomethylidene)-2,5-dimethylpyrazol-3-one
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.77242 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 563.69495 |
Chemical Identifiers
| CAS Number | 27006-81-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C)C=NC2=CC=CC=C2 |
Product Overview
1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone (CAS 27006-81-1), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 2,5-dimethyl-4-(phenyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone
Property Insights of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone
The XLogP value of 1.77242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone. With a topological polar surface area (TPSA) of 50.15 Ų, 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone has 1 hydrogen bond donor(s) and 2 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 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone?
The CAS number of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone is 27006-81-1.
What is the molecular formula of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone?
The molecular formula of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone is C12H13N3O.
What is the molecular weight of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone?
The molecular weight of 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone is 215.11 g/mol.
Where can I buy 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone?
You can request a quote for 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-phenylaminomethylene-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.