RefChem:1079115
TL;DR: RefChem:1079115 (CAS 100067-42-3) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Also Known As: p-(4-(p-(Dimethylamino)benzylidene)-2-methyl-5-oxo-2-imidazolin-1-yl)benzoic acid, Benzoic acid, 4-(4,5-dihydro-4-((4-(dimethylamino)phenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-, Benzoic acid, p-(4-(p-(dimethylamino)benzylidene)-2-methyl-5-oxo-2-imidazolin-1-yl)-, 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid, 4-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.2569 |
| Topological Polar Surface Area | 73.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 910.3225 |
Chemical Identifiers
| CAS Number | 100067-42-3 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)N1C3=CC=C(C=C3)C(=O)O |
Product Overview
RefChem:1079115 (CAS 100067-42-3), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: 4-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid.
Chemical Property Profile of RefChem:1079115
Property Insights of RefChem:1079115
The XLogP value of 3.2569 indicates that RefChem:1079115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079115. Following Lipinski's Rule of Five, RefChem:1079115 has 1 hydrogen bond donor(s) and 4 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:1079115?
The CAS number of RefChem:1079115 is 100067-42-3.
What is the molecular formula of RefChem:1079115?
The molecular formula of RefChem:1079115 is C20H19N3O3.
What is the molecular weight of RefChem:1079115?
The molecular weight of RefChem:1079115 is 349.14 g/mol.
Where can I buy RefChem:1079115?
You can request a quote for RefChem:1079115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079115?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.