RefChem:1075669
TL;DR: RefChem:1075669 (CAS 107044-90-6) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-benzylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Also Known As: (p-((3-Methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)acetic acid benzylidenehydrazide, Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, benzylidenehydrazide, 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid benzylidenehydrazide, RefChem:1075669, BRN 5624938
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 2.1048 |
| Topological Polar Surface Area | 92.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 916.0028 |
Chemical Identifiers
| CAS Number | 107044-90-6 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=CC=C3 |
Product Overview
RefChem:1075669 (CAS 107044-90-6), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: N-[(E)-benzylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide.
Chemical Property Profile of RefChem:1075669
Property Insights of RefChem:1075669
The XLogP value of 2.1048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075669. The TPSA of 92.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075669. Following Lipinski's Rule of Five, RefChem:1075669 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 RefChem:1075669?
The CAS number of RefChem:1075669 is 107044-90-6.
What is the molecular formula of RefChem:1075669?
The molecular formula of RefChem:1075669 is C20H18N4O3.
What is the molecular weight of RefChem:1075669?
The molecular weight of RefChem:1075669 is 362.14 g/mol.
Where can I buy RefChem:1075669?
You can request a quote for RefChem:1075669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075669?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.