J2.948.522D
TL;DR: J2.948.522D (CAS 5499-71-8) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: J2.948.522D, 4-[(2-Hydroxyethylimino)methyl]-3-methyl-1-phenyl-1H-pyrazole-5-ol, 4-[(2-hydroxyethylamino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(2-hydroxyethylamino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-{[(2-HYDROXYETHYL)AMINO]METHYLIDENE}-3-METHYL-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 0.88522 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 596.4441 |
Chemical Identifiers
| CAS Number | 5499-71-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NCCO |
Product Overview
J2.948.522D (CAS 5499-71-8), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 4-(2-hydroxyethyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of J2.948.522D
Property Insights of J2.948.522D
The XLogP value of 0.88522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.948.522D. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.948.522D. Following Lipinski's Rule of Five, J2.948.522D has 2 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 J2.948.522D?
The CAS number of J2.948.522D is 5499-71-8.
What is the molecular formula of J2.948.522D?
The molecular formula of J2.948.522D is C13H15N3O2.
What is the molecular weight of J2.948.522D?
The molecular weight of J2.948.522D is 245.12 g/mol.
Where can I buy J2.948.522D?
You can request a quote for J2.948.522D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.948.522D?
Yes, KEHONG BIO provides custom synthesis services for J2.948.522D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.