![ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate structure](/static/products/7019/701926-08-1.webp)
ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate
TL;DR: ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate (CAS 701926-08-1) is a chemical compound with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]benzoate
Also Known As: ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate, ethyl 4-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]benzoate, ethyl 4-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)benzoa te, ethyl 4-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)benzoate
| Molecular Formula | C19H17N3O3S2 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 3.7094 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.07114 |
| Heavy Atoms | 27 |
| Complexity | 983.2884 |
Chemical Identifiers
| CAS Number | 701926-08-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32 |
Product Overview
ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate (CAS 701926-08-1), with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol. IUPAC: ethyl 4-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate
Property Insights of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate
The XLogP value of 3.7094 indicates that ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)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-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate?
The CAS number of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate is 701926-08-1.
What is the molecular formula of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular formula of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate is C19H17N3O3S2.
What is the molecular weight of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular weight of ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate is 399.07 g/mol.
Where can I buy ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate?
You can request a quote for ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)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-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.