RefChem:314308
TL;DR: RefChem:314308 (CAS 76979-55-0) is a chemical compound with molecular formula C18H16N6O5 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide
Also Known As: Acetamide, 2-(((6-nitro-4-oxo-3(4H)quinazolinyl)methyl)amino)-N-((phenylamino)carbonyl)-, 2-(((6-Nitro-4-oxo-3(4H)quinazolinyl)methyl)amino)-N-((phenylamino)carbonyl)acetamide, 2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide, N~2~-[(6-Nitro-4-oxoquinazolin-3(4H)-yl)methyl]-N-(phenylcarbamoyl)glycinamide, BRN 6018110
| Molecular Formula | C18H16N6O5 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 1.2001 |
| Topological Polar Surface Area | 148.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.11823 |
| Heavy Atoms | 29 |
| Complexity | 1128.5399 |
Chemical Identifiers
| CAS Number | 76979-55-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:314308 (CAS 76979-55-0), with molecular formula C18H16N6O5 and molecular weight 396.12 g/mol. IUPAC: 2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide.
Chemical Property Profile of RefChem:314308
Property Insights of RefChem:314308
The XLogP value of 1.2001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314308. The TPSA of 148.26 Ų indicates high polarity, suggesting RefChem:314308 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:314308 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:314308?
The CAS number of RefChem:314308 is 76979-55-0.
What is the molecular formula of RefChem:314308?
The molecular formula of RefChem:314308 is C18H16N6O5.
What is the molecular weight of RefChem:314308?
The molecular weight of RefChem:314308 is 396.12 g/mol.
Where can I buy RefChem:314308?
You can request a quote for RefChem:314308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314308?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.