4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
TL;DR: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (CAS 701281-54-1) is a chemical compound with molecular formula C22H21ClN4O6S and molecular weight 504.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
Also Known As: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide, 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide, N-(3,4-dimethoxyphenyl){4-[(3-chloro-6-nitrobenzo[b]thiophen-2-yl)carbonyl]pip erazinyl}carboxamide
| Molecular Formula | C22H21ClN4O6S |
|---|---|
| Molecular Weight | 504.09 g/mol |
| LogP | 4.47 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.08704 |
| Heavy Atoms | 34 |
| Complexity | 1271.7584 |
Chemical Identifiers
| CAS Number | 701281-54-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)OC |
Product Overview
4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (CAS 701281-54-1), with molecular formula C22H21ClN4O6S and molecular weight 504.09 g/mol. IUPAC: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.
Chemical Property Profile of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
Property Insights of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
The XLogP value of 4.47 indicates that 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide. Following Lipinski's Rule of Five, 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide 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 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The CAS number of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is 701281-54-1.
What is the molecular formula of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The molecular formula of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is C22H21ClN4O6S.
What is the molecular weight of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The molecular weight of 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is 504.09 g/mol.
Where can I buy 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
You can request a quote for 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.