![ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/799/799791-72-3.png)
ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 799791-72-3) is a chemical compound with molecular formula C24H25N3O4S2 and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-(5-methyl-3-phenylisoxazole-4-carbonyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H25N3O4S2 |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 5.28392 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.12866 |
| Heavy Atoms | 33 |
| Complexity | 1184.0383 |
Chemical Identifiers
| CAS Number | 799791-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C |
Product Overview
ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 799791-72-3), with molecular formula C24H25N3O4S2 and molecular weight 483.13 g/mol. IUPAC: ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.28392 indicates that ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-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 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 799791-72-3.
What is the molecular formula of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C24H25N3O4S2.
What is the molecular weight of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 483.13 g/mol.
Where can I buy ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-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-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-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.