CDS1_001712
TL;DR: CDS1_001712 (CAS 340230-69-5) is a chemical compound with molecular formula C19H15BrN2O4S and molecular weight 445.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-bromophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: CDS1_001712, BIM-0040036.P001, (5E)-1-(3-bromophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-bromophenyl)-5-(2,4-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H15BrN2O4S |
|---|---|
| Molecular Weight | 445.99 g/mol |
| LogP | 3.2976 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.9936 |
| Heavy Atoms | 27 |
| Complexity | 973.93207 |
Chemical Identifiers
| CAS Number | 340230-69-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)OC |
Product Overview
CDS1_001712 (CAS 340230-69-5), with molecular formula C19H15BrN2O4S and molecular weight 445.99 g/mol. IUPAC: (5E)-1-(3-bromophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of CDS1_001712
Property Insights of CDS1_001712
The XLogP value of 3.2976 indicates that CDS1_001712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_001712. Following Lipinski's Rule of Five, CDS1_001712 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_001712?
The CAS number of CDS1_001712 is 340230-69-5.
What is the molecular formula of CDS1_001712?
The molecular formula of CDS1_001712 is C19H15BrN2O4S.
What is the molecular weight of CDS1_001712?
The molecular weight of CDS1_001712 is 445.99 g/mol.
Where can I buy CDS1_001712?
You can request a quote for CDS1_001712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_001712?
Yes, KEHONG BIO provides custom synthesis services for CDS1_001712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.