ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 708236-54-8) is a chemical compound with molecular formula C22H20N4O5S2 and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate, ethyl 2-[({[(4-methyl-3-nitrophenyl)carbonylamino]amino}thioxomethyl)amino]-5- phenylthiophene-3-carboxylate, ethyl 2-[({2-[(4-methyl-3-nitrophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate, Ethyl 2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylate, ethyl 2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C22H20N4O5S2 |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 4.43982 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.08752 |
| Heavy Atoms | 33 |
| Complexity | 1210.7501 |
Chemical Identifiers
| CAS Number | 708236-54-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 708236-54-8), with molecular formula C22H20N4O5S2 and molecular weight 484.09 g/mol. IUPAC: ethyl 2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.43982 indicates that ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate has 3 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 ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 708236-54-8.
What is the molecular formula of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is C22H20N4O5S2.
What is the molecular weight of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 484.09 g/mol.
Where can I buy ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-(4-methyl-3-nitrobenzoyl)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-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.