CDS1_001978
TL;DR: CDS1_001978 (CAS 348595-27-7) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: CDS1_001978, BIM-0007201.P001, (5E)-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-(5-bromo-2,4-dimethoxybenzylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.44112 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 1015.6508 |
Chemical Identifiers
| CAS Number | 348595-27-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)Br)/C(=O)NC2=O |
Product Overview
CDS1_001978 (CAS 348595-27-7), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: (5E)-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of CDS1_001978
Property Insights of CDS1_001978
The XLogP value of 3.44112 indicates that CDS1_001978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_001978. Following Lipinski's Rule of Five, CDS1_001978 has 1 hydrogen bond donor(s) and 5 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 CDS1_001978?
The CAS number of CDS1_001978 is 348595-27-7.
What is the molecular formula of CDS1_001978?
The molecular formula of CDS1_001978 is C20H17BrN2O5.
What is the molecular weight of CDS1_001978?
The molecular weight of CDS1_001978 is 444.03 g/mol.
Where can I buy CDS1_001978?
You can request a quote for CDS1_001978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_001978?
Yes, KEHONG BIO provides custom synthesis services for CDS1_001978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.