AE-641/14714340
TL;DR: AE-641/14714340 (CAS 340305-53-5) is a chemical compound with molecular formula C20H18BrN3O3 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromo-3-methylphenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AE-641/14714340, (5E)-1-(4-bromo-3-methylphenyl)-5-[4-(dimethylamino)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-bromo-3-methylphenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-bromo-3-methylphenyl)-5-[(4-dimethylaminophenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-BROMO-3-METHYLPHENYL)-5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C20H18BrN3O3 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 3.48992 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.05316 |
| Heavy Atoms | 27 |
| Complexity | 964.93726 |
Chemical Identifiers
| CAS Number | 340305-53-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C(=O)NC2=O)Br |
Product Overview
AE-641/14714340 (CAS 340305-53-5), with molecular formula C20H18BrN3O3 and molecular weight 427.05 g/mol. IUPAC: (5E)-1-(4-bromo-3-methylphenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AE-641/14714340
Property Insights of AE-641/14714340
The XLogP value of 3.48992 indicates that AE-641/14714340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14714340. Following Lipinski's Rule of Five, AE-641/14714340 has 1 hydrogen bond donor(s) and 4 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 AE-641/14714340?
The CAS number of AE-641/14714340 is 340305-53-5.
What is the molecular formula of AE-641/14714340?
The molecular formula of AE-641/14714340 is C20H18BrN3O3.
What is the molecular weight of AE-641/14714340?
The molecular weight of AE-641/14714340 is 427.05 g/mol.
Where can I buy AE-641/14714340?
You can request a quote for AE-641/14714340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14714340?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14714340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.