ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 708230-48-2) is a chemical compound with molecular formula C24H23ClN4O4S2 and molecular weight 530.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate, ethyl 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate, ethyl 2-{[({3-[N-(2-chlorophenyl)carbamoyl]propanoylamino}amino)thioxomethyl]a mino}-5-phenylthiophene-3-carboxylate, ethyl 2-{[(2-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate
| Molecular Formula | C24H23ClN4O4S2 |
|---|---|
| Molecular Weight | 530.08 g/mol |
| LogP | 4.9817 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.0849 |
| Heavy Atoms | 35 |
| Complexity | 1217.243 |
Chemical Identifiers
| CAS Number | 708230-48-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl |
Product Overview
ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 708230-48-2), with molecular formula C24H23ClN4O4S2 and molecular weight 530.08 g/mol. IUPAC: ethyl 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.9817 indicates that ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 708230-48-2.
What is the molecular formula of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is C24H23ClN4O4S2.
What is the molecular weight of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 530.08 g/mol.
Where can I buy ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(4-((2-chlorophenyl)amino)-4-oxobutanoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.