![ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate structure](/static/products/7012/701280-38-8.webp)
ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate
TL;DR: ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate (CAS 701280-38-8) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoate
Also Known As: ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate, ethyl 4-(2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinecarboxamido)benzoate, ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoate, ethyl 4-{[N-(4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophen-2-ylcarbonylamino)c arbamoyl]amino}benzoate
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.6602 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 837.3358 |
Chemical Identifiers
| CAS Number | 701280-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=C(S2)CCCCC3 |
Product Overview
ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate (CAS 701280-38-8), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoate.
Chemical Property Profile of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate
Property Insights of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate
The XLogP value of 3.6602 indicates that ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate has 3 hydrogen bond donor(s) and 5 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 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate?
The CAS number of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate is 701280-38-8.
What is the molecular formula of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate is C20H23N3O4S.
What is the molecular weight of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate is 401.14 g/mol.
Where can I buy ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.