J3.506.730B
TL;DR: J3.506.730B (CAS 64598-45-4) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroacetyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: J3.506.730B, 1-phenyl-3-methyl-4-chloroacetyl-5-pyrazolone, 4-(2-chloroacetyl)-5-methyl-2-phenyl-1H-pyrazol-3-one, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)ethanone, 3-Methyl-1-phenyl-4-(chloroacetyl)-1H-pyrazole-5-ol
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.89552 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 598.7133 |
Chemical Identifiers
| CAS Number | 64598-45-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CCl |
Product Overview
J3.506.730B (CAS 64598-45-4), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: 4-(2-chloroacetyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of J3.506.730B
Property Insights of J3.506.730B
The XLogP value of 1.89552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.506.730B. With a topological polar surface area (TPSA) of 54.86 Ų, J3.506.730B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.506.730B 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 J3.506.730B?
The CAS number of J3.506.730B is 64598-45-4.
What is the molecular formula of J3.506.730B?
The molecular formula of J3.506.730B is C12H11ClN2O2.
What is the molecular weight of J3.506.730B?
The molecular weight of J3.506.730B is 250.05 g/mol.
Where can I buy J3.506.730B?
You can request a quote for J3.506.730B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.506.730B?
Yes, KEHONG BIO provides custom synthesis services for J3.506.730B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.