RefChem:1079127
TL;DR: RefChem:1079127 (CAS 78356-73-7) is a chemical compound with molecular formula C24H17N3O5 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-nitro-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate
Also Known As: C24H17N3O5.1/2H2O, C24-H17-N3-O5.1/2H2-O, Methyl 4-(7-nitro-4-oxo-2-(2-phenylethenyl)-3(4H)-quinazolinyl)benzoate, Benzoic acid, 4-(7-nitro-4-oxo-2-(2-phenylethenyl)-3(4H)-quinazolinyl)-, methyl ester, methyl 4-[7-nitro-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate
| Molecular Formula | C24H17N3O5 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.2509 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.11682 |
| Heavy Atoms | 32 |
| Complexity | 1407.7767 |
Chemical Identifiers
| CAS Number | 78356-73-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])/C=C/C4=CC=CC=C4 |
Product Overview
RefChem:1079127 (CAS 78356-73-7), with molecular formula C24H17N3O5 and molecular weight 427.12 g/mol. IUPAC: methyl 4-[7-nitro-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate.
Chemical Property Profile of RefChem:1079127
Property Insights of RefChem:1079127
The XLogP value of 4.2509 indicates that RefChem:1079127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079127. Following Lipinski's Rule of Five, RefChem:1079127 has 0 hydrogen bond donor(s) and 6 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:1079127?
The CAS number of RefChem:1079127 is 78356-73-7.
What is the molecular formula of RefChem:1079127?
The molecular formula of RefChem:1079127 is C24H17N3O5.
What is the molecular weight of RefChem:1079127?
The molecular weight of RefChem:1079127 is 427.12 g/mol.
Where can I buy RefChem:1079127?
You can request a quote for RefChem:1079127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079127?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.