nchembio826-comp1
TL;DR: nchembio826-comp1 (CAS 794466-17-4) is a chemical compound with molecular formula C25H20N6O4 and molecular weight 468.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[4-(2-benzoylanilino)-5-nitropyrimidin-2-yl]amino]phenyl]acetamide
Also Known As: nchembio826-comp1, DAP81, DAP 81, DAP81; DAP 81, EX-A3771
| Molecular Formula | C25H20N6O4 |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 5.0614 |
| Topological Polar Surface Area | 139.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1546 |
| Heavy Atoms | 35 |
| Complexity | 1390.9948 |
Chemical Identifiers
| CAS Number | 794466-17-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
nchembio826-comp1 (CAS 794466-17-4), with molecular formula C25H20N6O4 and molecular weight 468.15 g/mol. IUPAC: N-[4-[[4-(2-benzoylanilino)-5-nitropyrimidin-2-yl]amino]phenyl]acetamide.
Chemical Property Profile of nchembio826-comp1
Property Insights of nchembio826-comp1
The XLogP value of 5.0614 indicates that nchembio826-comp1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.15 Ų falls within the moderate polarity range, balancing permeability and solubility for nchembio826-comp1. Following Lipinski's Rule of Five, nchembio826-comp1 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nchembio826-comp1?
The CAS number of nchembio826-comp1 is 794466-17-4.
What is the molecular formula of nchembio826-comp1?
The molecular formula of nchembio826-comp1 is C25H20N6O4.
What is the molecular weight of nchembio826-comp1?
The molecular weight of nchembio826-comp1 is 468.15 g/mol.
Where can I buy nchembio826-comp1?
You can request a quote for nchembio826-comp1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nchembio826-comp1?
Yes, KEHONG BIO provides custom synthesis services for nchembio826-comp1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.