![5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid structure](/static/products/896/896526-68-4.png)
5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid
TL;DR: 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid (CAS 896526-68-4) is a chemical compound with molecular formula C18H18Cl2N2O4S and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
Also Known As: 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid, 5-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid, 5-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]-5-oxo-pentanoic Acid, 5-{4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-5-oxopentanoic acid, 5-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}-5-oxopentanoic acid
| Molecular Formula | C18H18Cl2N2O4S |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 3.7474 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.03644 |
| Heavy Atoms | 27 |
| Complexity | 890.85913 |
Chemical Identifiers
| CAS Number | 896526-68-4 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCCC(=O)O)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid (CAS 896526-68-4), with molecular formula C18H18Cl2N2O4S and molecular weight 428.04 g/mol. IUPAC: 5-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid.
Chemical Property Profile of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid
Property Insights of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid
The XLogP value of 3.7474 indicates that 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid has 1 hydrogen bond donor(s) and 4 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 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid?
The CAS number of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid is 896526-68-4.
What is the molecular formula of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid?
The molecular formula of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid is C18H18Cl2N2O4S.
What is the molecular weight of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid?
The molecular weight of 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid is 428.04 g/mol.
Where can I buy 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid?
You can request a quote for 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.