RefChem:346505
TL;DR: RefChem:346505 (CAS 110009-16-0) is a chemical compound with molecular formula C20H19Br2N3O4 and molecular weight 522.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-methoxyanilino)acetate
Also Known As: Glycine, N-(4-methoxyphenyl)-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, N-(4-Methoxyphenyl)glycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-methoxyanilino)acetate, beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl p-anisidinoacetate, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4h)-yl)ethyl n-(4-methoxyphenyl)glycinate
| Molecular Formula | C20H19Br2N3O4 |
|---|---|
| Molecular Weight | 522.97 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.97217 |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 110009-16-0 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNC3=CC=C(C=C3)OC |
| InChIKey | CNYOXBWJBKCCJB-UHFFFAOYSA-N |
Product Overview
RefChem:346505 (CAS 110009-16-0), with molecular formula C20H19Br2N3O4 and molecular weight 522.97 g/mol. IUPAC: 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-methoxyanilino)acetate.
Chemical Property Profile of RefChem:346505
Property Insights of RefChem:346505
The XLogP value of 3.8 indicates that RefChem:346505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:346505. Following Lipinski's Rule of Five, RefChem:346505 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:346505?
The CAS number of RefChem:346505 is 110009-16-0.
What is the molecular formula of RefChem:346505?
The molecular formula of RefChem:346505 is C20H19Br2N3O4.
What is the molecular weight of RefChem:346505?
The molecular weight of RefChem:346505 is 522.97 g/mol.
Where can I buy RefChem:346505?
You can request a quote for RefChem:346505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346505?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.