RefChem:1060425
TL;DR: RefChem:1060425 (CAS 84138-19-2) is a chemical compound with molecular formula C25H24N4O5 and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]-3-(4-methylphenyl)quinazolin-4-one
Also Known As: 2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]-3-(4-methylphenyl)quinazolin-4-one, 4(3H)-Quinazolinone, 2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-3-(4-methylphenyl)-, (R)-, 4(3H)-Quinazolinone, 2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-3-(4-methylphenyl)-, (+-)-, 4(3H)-Quinazolinone, 2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-3-(4-methylphenyl)-, (S)-, 2-(((2,3-Dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-3-(4-methylphenyl)quinazolin-4(3H)-one
| Molecular Formula | C25H24N4O5 |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.17468 |
| Heavy Atoms | 34 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 84138-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNCC(CO)(C4=CC=C(C=C4)[N+](=O)[O-])O |
| InChIKey | JZIRGKGSZOKWEG-UHFFFAOYSA-N |
Product Overview
RefChem:1060425 (CAS 84138-19-2), with molecular formula C25H24N4O5 and molecular weight 460.17 g/mol. IUPAC: 2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of RefChem:1060425
Property Insights of RefChem:1060425
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060425. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1060425. Following Lipinski's Rule of Five, RefChem:1060425 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:1060425?
The CAS number of RefChem:1060425 is 84138-19-2.
What is the molecular formula of RefChem:1060425?
The molecular formula of RefChem:1060425 is C25H24N4O5.
What is the molecular weight of RefChem:1060425?
The molecular weight of RefChem:1060425 is 460.17 g/mol.
Where can I buy RefChem:1060425?
You can request a quote for RefChem:1060425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060425?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.