RefChem:241584
TL;DR: RefChem:241584 (CAS 100037-07-8) is a chemical compound with molecular formula C19H18ClIN4O3 and molecular weight 512.0112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide
Also Known As: 6-Chloro-3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-2-benzoxazolinone hydriodide, 2-Benzoxazolinone, 6-chloro-3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-, monohydriodide, 2(3H)-Benzoxazolone, 6-chloro-3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-, monohydriodide, 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide, 2(3H)-BENZOXAZOLONE, 6-CHLORO-3-(3-(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENY
Technical Specifications
| Molecular Formula | C19H18ClIN4O3 |
| Molecular Weight | 512.0112 g/mol |
| XLogP | -1.13 |
| Topological Polar Surface Area (TPSA) | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0112 Da |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
| SMILES | C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O.[I-] |
| InChIKey | BRPYBKGMBVXUQE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:241584
Property Insights of RefChem:241584
The XLogP value of -1.13 indicates that RefChem:241584 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:241584. Following Lipinski's Rule of Five, RefChem:241584 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:241584?
The CAS number of RefChem:241584 is 100037-07-8.
What is the molecular formula of RefChem:241584?
The molecular formula of RefChem:241584 is C19H18ClIN4O3.
What is the molecular weight of RefChem:241584?
The molecular weight of RefChem:241584 is 512.0112 g/mol.
Where can I buy RefChem:241584?
You can request a quote for RefChem:241584 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:241584?
Yes, CoreyChem provides custom synthesis services for RefChem:241584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.