![ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate structure](/static/products/7019/701945-76-8.webp)
ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate
TL;DR: ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate (CAS 701945-76-8) is a chemical compound with molecular formula C23H21ClN4O6S and molecular weight 516.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
Also Known As: ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate, ethyl 4-({4-[(3-chloro-6-nitrobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}carbo nylamino)benzoate, ethyl 4-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)amino]benzoate, ethyl 4-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate, Ethyl 4-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
| Molecular Formula | C23H21ClN4O6S |
|---|---|
| Molecular Weight | 516.09 g/mol |
| LogP | 4.6295 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.08704 |
| Heavy Atoms | 35 |
| Complexity | 1301.3339 |
Chemical Identifiers
| CAS Number | 701945-76-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate (CAS 701945-76-8), with molecular formula C23H21ClN4O6S and molecular weight 516.09 g/mol. IUPAC: ethyl 4-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate
Property Insights of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate
The XLogP value of 4.6295 indicates that ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate has 1 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 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate?
The CAS number of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate is 701945-76-8.
What is the molecular formula of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate?
The molecular formula of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate is C23H21ClN4O6S.
What is the molecular weight of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate?
The molecular weight of ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate is 516.09 g/mol.
Where can I buy ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate?
You can request a quote for ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)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-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-(3-chloro-6-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.