RefChem:1079118
TL;DR: RefChem:1079118 (CAS 100037-30-7) is a chemical compound with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Also Known As: 4-(4-((3-Chlorophenyl)methylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)benzoic acid, Benzoic acid, 4-(4-((3-chlorophenyl)methylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-, 4-[(4E)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid, RefChem:1079118
| Molecular Formula | C18H13ClN2O3 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 3.8443 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.06146 |
| Heavy Atoms | 24 |
| Complexity | 885.39185 |
Chemical Identifiers
| CAS Number | 100037-30-7 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC(=CC=C2)Cl)/C(=O)N1C3=CC=C(C=C3)C(=O)O |
Product Overview
RefChem:1079118 (CAS 100037-30-7), with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol. IUPAC: 4-[(4E)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid.
Chemical Property Profile of RefChem:1079118
Property Insights of RefChem:1079118
The XLogP value of 3.8443 indicates that RefChem:1079118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079118. Following Lipinski's Rule of Five, RefChem:1079118 has 1 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 RefChem:1079118?
The CAS number of RefChem:1079118 is 100037-30-7.
What is the molecular formula of RefChem:1079118?
The molecular formula of RefChem:1079118 is C18H13ClN2O3.
What is the molecular weight of RefChem:1079118?
The molecular weight of RefChem:1079118 is 340.06 g/mol.
Where can I buy RefChem:1079118?
You can request a quote for RefChem:1079118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079118?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.