![methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate structure](/static/products/7082/708236-33-3.webp)
methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate (CAS 708236-33-3) is a chemical compound with molecular formula C23H30N4O4S3 and molecular weight 522.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinecarbothioamido)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-({[(4,5,6,7,8-pentahydrocyclohepta[ 2,1-d]thiophen-2-ylcarbonylamino)amino]thioxomethyl}amino)thiophene-3-carboxyl ate
| Molecular Formula | C23H30N4O4S3 |
|---|---|
| Molecular Weight | 522.14 g/mol |
| LogP | 4.28692 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.14294 |
| Heavy Atoms | 34 |
| Complexity | 1064.8993 |
Chemical Identifiers
| CAS Number | 708236-33-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate (CAS 708236-33-3), with molecular formula C23H30N4O4S3 and molecular weight 522.14 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
The XLogP value of 4.28692 indicates that methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate has 3 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 methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate is 708236-33-3.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate is C23H30N4O4S3.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate is 522.14 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)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 methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.