ChemDiv1_021141
TL;DR: ChemDiv1_021141 (CAS 312527-47-2) is a chemical compound with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl)-4-nitrophenol
Also Known As: ChemDiv1_021141, 2-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-4-nitrophenol, 2-(4,4-diphenyl(1H,2H-benzo[d]1,3-oxazin-2-yl))-4-nitrophenol, 2-(4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl)-4-nitrophenol, 2-(2-hydroxy-5-nitrophenyl)-4,4-diphenyl-1,2-dihydro-4h-3,1-ben-zoxazine
| Molecular Formula | C26H20N2O4 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.7332 |
| Topological Polar Surface Area | 84.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1423 |
| Heavy Atoms | 32 |
| Complexity | 1236.0225 |
Chemical Identifiers
| CAS Number | 312527-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)[N+](=O)[O-])O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_021141 (CAS 312527-47-2), with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol. IUPAC: 2-(4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl)-4-nitrophenol.
Chemical Property Profile of ChemDiv1_021141
Property Insights of ChemDiv1_021141
The XLogP value of 5.7332 indicates that ChemDiv1_021141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021141. Following Lipinski's Rule of Five, ChemDiv1_021141 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021141?
The CAS number of ChemDiv1_021141 is 312527-47-2.
What is the molecular formula of ChemDiv1_021141?
The molecular formula of ChemDiv1_021141 is C26H20N2O4.
What is the molecular weight of ChemDiv1_021141?
The molecular weight of ChemDiv1_021141 is 424.14 g/mol.
Where can I buy ChemDiv1_021141?
You can request a quote for ChemDiv1_021141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021141?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.