RefChem:241512
TL;DR: RefChem:241512 (CAS 100037-08-9) is a chemical compound with molecular formula C19H18IN5O5 and molecular weight 523.0353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide
Also Known As: 3-(2-(p-(2-Imidazolin-2-ylamino)benzoyl)ethyl)-6-nitro-2-benzoxazolinone hydriodide, 2-Benzoxazolinone, 3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-6-nitro-, monohydriodide, 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-nitro-, monohydriodide, 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide, 2(3H)-BENZOXAZOLONE, 3-(3-(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-3-OXOP
Technical Specifications
| Molecular Formula | C19H18IN5O5 |
| Molecular Weight | 523.0353 g/mol |
| XLogP | -1.88 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.0353 Da |
| Heavy Atoms | 30 |
| Complexity | 685.0 |
| SMILES | C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O.[I-] |
| InChIKey | WZYUIXDPKJTTMP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:241512
Property Insights of RefChem:241512
The XLogP value of -1.88 indicates that RefChem:241512 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:241512. Following Lipinski's Rule of Five, RefChem:241512 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:241512?
The CAS number of RefChem:241512 is 100037-08-9.
What is the molecular formula of RefChem:241512?
The molecular formula of RefChem:241512 is C19H18IN5O5.
What is the molecular weight of RefChem:241512?
The molecular weight of RefChem:241512 is 523.0353 g/mol.
Where can I buy RefChem:241512?
You can request a quote for RefChem:241512 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:241512?
Yes, CoreyChem provides custom synthesis services for RefChem:241512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.