CDS1_003469
TL;DR: CDS1_003469 (CAS 348577-56-0) is a chemical compound with molecular formula C17H11ClN2O3S and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: CDS1_003469, BIM-0010881.P001, (5E)-5-(3-chloro-4-hydroxybenzylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H11ClN2O3S |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 2.8769 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.01788 |
| Heavy Atoms | 24 |
| Complexity | 880.6593 |
Chemical Identifiers
| CAS Number | 348577-56-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)Cl)/C(=O)NC2=S |
Product Overview
CDS1_003469 (CAS 348577-56-0), with molecular formula C17H11ClN2O3S and molecular weight 358.02 g/mol. IUPAC: (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of CDS1_003469
Property Insights of CDS1_003469
The XLogP value of 2.8769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_003469. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003469. Following Lipinski's Rule of Five, CDS1_003469 has 2 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 CDS1_003469?
The CAS number of CDS1_003469 is 348577-56-0.
What is the molecular formula of CDS1_003469?
The molecular formula of CDS1_003469 is C17H11ClN2O3S.
What is the molecular weight of CDS1_003469?
The molecular weight of CDS1_003469 is 358.02 g/mol.
Where can I buy CDS1_003469?
You can request a quote for CDS1_003469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003469?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.