CDS1_004913
TL;DR: CDS1_004913 (CAS 424801-07-0) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: CDS1_004913, BIM-0036502.P001, ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 2-((2E)-3-phenylprop-2-enoylamino)-5-(N,N-diethylcarbamoyl)-4-methylthio phene-3-carboxylate, ethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-phenylprop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.36712 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 899.03613 |
Chemical Identifiers
| CAS Number | 424801-07-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=CC=C2)C(=O)OCC)C |
Product Overview
CDS1_004913 (CAS 424801-07-0), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CDS1_004913
Property Insights of CDS1_004913
The XLogP value of 4.36712 indicates that CDS1_004913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004913. Following Lipinski's Rule of Five, CDS1_004913 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_004913?
The CAS number of CDS1_004913 is 424801-07-0.
What is the molecular formula of CDS1_004913?
The molecular formula of CDS1_004913 is C22H26N2O4S.
What is the molecular weight of CDS1_004913?
The molecular weight of CDS1_004913 is 414.16 g/mol.
Where can I buy CDS1_004913?
You can request a quote for CDS1_004913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004913?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.