RefChem:283822
TL;DR: RefChem:283822 (CAS 91045-35-1) is a chemical compound with molecular formula C33H28N6O4 and molecular weight 572.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenoxy)-3-[2-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2-(2-nitrophenoxy)-3-(2-(1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)phenyl)-, 2-(2-nitrophenoxy)-3-[2-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one, 2-(2-nitrophenoxy)-3-[2-[1-(1-piperidylmethyl)benzoimidazol-2-yl]phenyl]quinazolin-4-one, 2-(2-Nitrophenoxy)-3-(2-{1-[(piperidin-1-yl)methyl]-1H-1,3-benzimidazol-2-yl}phenyl)quinazolin-4(3H)-one, RefChem:283822
| Molecular Formula | C33H28N6O4 |
|---|---|
| Molecular Weight | 572.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.2172 |
| Heavy Atoms | 43 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 91045-35-1 |
|---|---|
| SMILES | C1CCN(CC1)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=O)C6=CC=CC=C6N=C5OC7=CC=CC=C7[N+](=O)[O-] |
| InChIKey | OTCVATSGLQLCAM-UHFFFAOYSA-N |
Product Overview
RefChem:283822 (CAS 91045-35-1), with molecular formula C33H28N6O4 and molecular weight 572.22 g/mol. IUPAC: 2-(2-nitrophenoxy)-3-[2-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one.
Chemical Property Profile of RefChem:283822
Property Insights of RefChem:283822
The XLogP value of 6.3 indicates that RefChem:283822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283822. Following Lipinski's Rule of Five, RefChem:283822 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:283822?
The CAS number of RefChem:283822 is 91045-35-1.
What is the molecular formula of RefChem:283822?
The molecular formula of RefChem:283822 is C33H28N6O4.
What is the molecular weight of RefChem:283822?
The molecular weight of RefChem:283822 is 572.22 g/mol.
Where can I buy RefChem:283822?
You can request a quote for RefChem:283822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.