A1946/0081779
TL;DR: A1946/0081779 (CAS 312511-33-4) is a chemical compound with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: A1946/0081779, 5-({3-ETHOXY-4-[(4-NITROPHENYL)METHOXY]PHENYL}METHYLIDENE)-1,3-DIMETHYL-1,3-DIAZINANE-2,4,6-TRIONE, 5-[[3-Ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[3-ethoxy-4-({4-nitrobenzyl}oxy)benzylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C22H21N3O7 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.0063 |
| Topological Polar Surface Area | 119.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.13794 |
| Heavy Atoms | 32 |
| Complexity | 1083.0076 |
Chemical Identifiers
| CAS Number | 312511-33-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
A1946/0081779 (CAS 312511-33-4), with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol. IUPAC: 5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of A1946/0081779
Property Insights of A1946/0081779
The XLogP value of 3.0063 indicates that A1946/0081779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A1946/0081779. Following Lipinski's Rule of Five, A1946/0081779 has 0 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 A1946/0081779?
The CAS number of A1946/0081779 is 312511-33-4.
What is the molecular formula of A1946/0081779?
The molecular formula of A1946/0081779 is C22H21N3O7.
What is the molecular weight of A1946/0081779?
The molecular weight of A1946/0081779 is 439.14 g/mol.
Where can I buy A1946/0081779?
You can request a quote for A1946/0081779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1946/0081779?
Yes, KEHONG BIO provides custom synthesis services for A1946/0081779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.