RefChem:314307
TL;DR: RefChem:314307 (CAS 76979-53-8) is a chemical compound with molecular formula C18H16BrN5O3 and molecular weight 429.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide
Also Known As: Acetamide, 2-(((6-bromo-4-oxo-3(4H)-quinazolinyl)methyl)amino)-N-((phenylamino)carbonyl)-, 2-(((6-Bromo-4-oxo-3(4H)-quinazolinyl)methyl)amino)-N-((phenylamino)carbonyl)acetamide, 2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide, N~2~-[(6-Bromo-4-oxoquinazolin-3(4H)-yl)methyl]-N-(phenylcarbamoyl)glycinamide, BRN 6005050
| Molecular Formula | C18H16BrN5O3 |
|---|---|
| Molecular Weight | 429.04 g/mol |
| LogP | 2.0544 |
| Topological Polar Surface Area | 105.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.04364 |
| Heavy Atoms | 27 |
| Complexity | 1036.0966 |
Chemical Identifiers
| CAS Number | 76979-53-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)Br |
Product Overview
RefChem:314307 (CAS 76979-53-8), with molecular formula C18H16BrN5O3 and molecular weight 429.04 g/mol. IUPAC: 2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide.
Chemical Property Profile of RefChem:314307
Property Insights of RefChem:314307
The XLogP value of 2.0544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314307. The TPSA of 105.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314307. Following Lipinski's Rule of Five, RefChem:314307 has 3 hydrogen bond donor(s) and 5 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:314307?
The CAS number of RefChem:314307 is 76979-53-8.
What is the molecular formula of RefChem:314307?
The molecular formula of RefChem:314307 is C18H16BrN5O3.
What is the molecular weight of RefChem:314307?
The molecular weight of RefChem:314307 is 429.04 g/mol.
Where can I buy RefChem:314307?
You can request a quote for RefChem:314307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.