![ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/7012/701286-82-0.webp)
ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 701286-82-0) is a chemical compound with molecular formula C26H35N3O6S2 and molecular weight 549.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[({2-[(3,4,5-triethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(thioxo{[(3,4,5-triethoxyphenyl)carbonylamino]amino}methyl)amino]-4,5 ,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate, ethyl 2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C26H35N3O6S2 |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 5.0212 |
| Topological Polar Surface Area | 107.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.1967 |
| Heavy Atoms | 37 |
| Complexity | 1090.967 |
Chemical Identifiers
| CAS Number | 701286-82-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC |
Product Overview
ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 701286-82-0), with molecular formula C26H35N3O6S2 and molecular weight 549.20 g/mol. IUPAC: ethyl 2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.0212 indicates that ethyl 2-(2-(3,4,5-triethoxybenzoyl)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 107.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(3,4,5-triethoxybenzoyl)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-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 701286-82-0.
What is the molecular formula of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C26H35N3O6S2.
What is the molecular weight of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 549.20 g/mol.
Where can I buy ethyl 2-(2-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-(3,4,5-triethoxybenzoyl)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-(3,4,5-triethoxybenzoyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(3,4,5-triethoxybenzoyl)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.