![ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/7019/701923-50-4.webp)
ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 701923-50-4) is a chemical compound with molecular formula C23H28N4O6S2 and molecular weight 520.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-methyl-2-nitrophenoxy)propanoylamino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[({[2-(4-methyl-2-nitrophenoxy)propanoylamino]amino}thioxomethyl)amino ]-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate, ethyl 2-[({2-[2-(4-methyl-2-nitrophenoxy)propanoyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-(4-methyl-2-nitrophenoxy)propanoylamino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C23H28N4O6S2 |
|---|---|
| Molecular Weight | 520.14 g/mol |
| LogP | 4.19542 |
| Topological Polar Surface Area | 131.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.145 |
| Heavy Atoms | 35 |
| Complexity | 1133.4551 |
Chemical Identifiers
| CAS Number | 701923-50-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C(C)OC3=C(C=C(C=C3)C)[N+](=O)[O-] |
Product Overview
ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 701923-50-4), with molecular formula C23H28N4O6S2 and molecular weight 520.14 g/mol. IUPAC: ethyl 2-[[2-(4-methyl-2-nitrophenoxy)propanoylamino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.19542 indicates that ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 8 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-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 701923-50-4.
What is the molecular formula of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C23H28N4O6S2.
What is the molecular weight of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 520.14 g/mol.
Where can I buy ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(2-(4-methyl-2-nitrophenoxy)propanoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.