RefChem:1075334
TL;DR: RefChem:1075334 (CAS 70395-17-4) is a chemical compound with molecular formula C18H21Cl3N4O2 and molecular weight 430.073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylazanium trichloride
Also Known As: Acetamide, N-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-2-(N-methylanilino)-, trihydrochloride, Acetamide, 2-(methylphenylamino)-N-((4-oxo-3(4H)-quinazolinyl)methyl)-, 3HCl, N-(3,4-Dihydro-4-oxo-3-quinazolinylmethyl)-2-(N-methylanilino)acetamide trihydrochloride, methyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylazanium trichloride
Technical Specifications
| Molecular Formula | C18H21Cl3N4O2 |
| Molecular Weight | 430.073 g/mol |
| XLogP | -11.6 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.073 Da |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
| SMILES | C[NH+](CC(=O)NC[NH+]1C=[NH+]C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-].[Cl-].[Cl-] |
| InChIKey | SEEMNEHUYPBPJN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1075334
Property Insights of RefChem:1075334
The XLogP value of -11.6 indicates that RefChem:1075334 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075334. Following Lipinski's Rule of Five, RefChem:1075334 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1075334?
The CAS number of RefChem:1075334 is 70395-17-4.
What is the molecular formula of RefChem:1075334?
The molecular formula of RefChem:1075334 is C18H21Cl3N4O2.
What is the molecular weight of RefChem:1075334?
The molecular weight of RefChem:1075334 is 430.073 g/mol.
Where can I buy RefChem:1075334?
You can request a quote for RefChem:1075334 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075334?
Yes, CoreyChem provides custom synthesis services for RefChem:1075334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.