ChemDiv1_019344
TL;DR: ChemDiv1_019344 (CAS 944250-67-3) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dihydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019344, BAS 00134244, 4-[(3,4-dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(3,4-dihydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, (E)-4-((3,4-dihydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 944250-67-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)O)O |
| InChIKey | WQLJNMMVTZYNSO-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019344 (CAS 944250-67-3), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: 4-[(3,4-dihydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019344
Property Insights of ChemDiv1_019344
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019344. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019344. Following Lipinski's Rule of Five, ChemDiv1_019344 has 2 hydrogen bond donor(s) and 5 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 ChemDiv1_019344?
The CAS number of ChemDiv1_019344 is 944250-67-3.
What is the molecular formula of ChemDiv1_019344?
The molecular formula of ChemDiv1_019344 is C18H17N3O3.
What is the molecular weight of ChemDiv1_019344?
The molecular weight of ChemDiv1_019344 is 323.13 g/mol.
Where can I buy ChemDiv1_019344?
You can request a quote for ChemDiv1_019344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019344?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.