CDS1_004114
TL;DR: CDS1_004114 (CAS 5544-36-5) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]benzoate
Also Known As: CDS1_004114, BIM-0023778.P001, ethyl 4-({3-[5-(2-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoate, AF-399/36752012, ethyl 4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]benzoate
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.937 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1064.4113 |
Chemical Identifiers
| CAS Number | 5544-36-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=O |
Product Overview
CDS1_004114 (CAS 5544-36-5), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: ethyl 4-[3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]benzoate.
Chemical Property Profile of CDS1_004114
Property Insights of CDS1_004114
The XLogP value of 3.937 indicates that CDS1_004114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004114. Following Lipinski's Rule of Five, CDS1_004114 has 1 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 CDS1_004114?
The CAS number of CDS1_004114 is 5544-36-5.
What is the molecular formula of CDS1_004114?
The molecular formula of CDS1_004114 is C23H22N2O6S.
What is the molecular weight of CDS1_004114?
The molecular weight of CDS1_004114 is 454.12 g/mol.
Where can I buy CDS1_004114?
You can request a quote for CDS1_004114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004114?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.