RefChem:1063532
TL;DR: RefChem:1063532 (CAS 70395-15-2) is a chemical compound with molecular formula C19H17Cl3N4O4 and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dioxoisoindol-2-yl)acetyl]-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methyl]azanium trichloride
Also Known As: 2-Isoindolineacetamide, N-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-1,3-dioxo-, trihydrochloride, N-(3,4-Dihydro-4-oxo-3-quinazolinylmethyl)-1,3-dioxo-2-isoindolineacetamide trihydrochloride, [2-(1,3-dioxoisoindol-2-yl)acetyl]-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methyl]azanium trichloride, RefChem:1063532
| Molecular Formula | C19H17Cl3N4O4 |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | -12.18 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.03152 |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 70395-15-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)[NH2+]C[NH+]3C=[NH+]C4=CC=CC=C4C3=O.[Cl-].[Cl-].[Cl-] |
| InChIKey | GQFCIRQJUWYPPV-UHFFFAOYSA-N |
Product Overview
RefChem:1063532 (CAS 70395-15-2), with molecular formula C19H17Cl3N4O4 and molecular weight 470.03 g/mol. IUPAC: [2-(1,3-dioxoisoindol-2-yl)acetyl]-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methyl]azanium trichloride.
Chemical Property Profile of RefChem:1063532
Property Insights of RefChem:1063532
The XLogP value of -12.18 indicates that RefChem:1063532 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063532. Following Lipinski's Rule of Five, RefChem:1063532 has 3 hydrogen bond donor(s) and 7 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:1063532?
The CAS number of RefChem:1063532 is 70395-15-2.
What is the molecular formula of RefChem:1063532?
The molecular formula of RefChem:1063532 is C19H17Cl3N4O4.
What is the molecular weight of RefChem:1063532?
The molecular weight of RefChem:1063532 is 470.03 g/mol.
Where can I buy RefChem:1063532?
You can request a quote for RefChem:1063532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063532?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.