RefChem:1079117
TL;DR: RefChem:1079117 (CAS 100039-63-2) is a chemical compound with molecular formula C20H15N3O3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Also Known As: 4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid, Benzoic acid, 4-(4,5-dihydro-4-(1H-indolylmethylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-, 4-[(4E)-4-(INDOL-1-YLMETHYLIDENE)-2-METHYL-5-OXO-IMIDAZOL-1-YL]BENZOIC ACID, 4-[4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid, Benzoic acid,4-[4,5-dihydro-4-(1H-indolylmethylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl]-(9CI)
| Molecular Formula | C20H15N3O3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.6031 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11133 |
| Heavy Atoms | 26 |
| Complexity | 1090.9467 |
Chemical Identifiers
| CAS Number | 100039-63-2 |
|---|---|
| SMILES | CC1=N/C(=C/N2C=CC3=CC=CC=C32)/C(=O)N1C4=CC=C(C=C4)C(=O)O |
Product Overview
RefChem:1079117 (CAS 100039-63-2), with molecular formula C20H15N3O3 and molecular weight 345.11 g/mol. IUPAC: 4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid.
Chemical Property Profile of RefChem:1079117
Property Insights of RefChem:1079117
The XLogP value of 3.6031 indicates that RefChem:1079117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079117. Following Lipinski's Rule of Five, RefChem:1079117 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:1079117?
The CAS number of RefChem:1079117 is 100039-63-2.
What is the molecular formula of RefChem:1079117?
The molecular formula of RefChem:1079117 is C20H15N3O3.
What is the molecular weight of RefChem:1079117?
The molecular weight of RefChem:1079117 is 345.11 g/mol.
Where can I buy RefChem:1079117?
You can request a quote for RefChem:1079117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.