![Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate structure](/static/products/890/890285-82-2.png)
Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate
TL;DR: Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate (CAS 890285-82-2) is a chemical compound with molecular formula C16H16Cl2N2O3S and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetate
Also Known As: Methyl 2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetate, methyl {4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetate, methyl 2-(4-(3,6-dichlorobenzo[b]thiophene-2-carbonyl)piperazin-1-yl)acetate, methyl 2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetate, METHYL 2-{4-[(3,6-DICHLORO-1-BENZOTHIOPHEN-2-YL)CARBONYL]PIPERAZINO}ACETATE
| Molecular Formula | C16H16Cl2N2O3S |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 3.1389 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.02588 |
| Heavy Atoms | 24 |
| Complexity | 784.96564 |
Chemical Identifiers
| CAS Number | 890285-82-2 |
|---|---|
| SMILES | COC(=O)CN1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate (CAS 890285-82-2), with molecular formula C16H16Cl2N2O3S and molecular weight 386.03 g/mol. IUPAC: methyl 2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetate.
Chemical Property Profile of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate
Property Insights of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate
The XLogP value of 3.1389 indicates that Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate has 0 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 Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate?
The CAS number of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate is 890285-82-2.
What is the molecular formula of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate?
The molecular formula of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate is C16H16Cl2N2O3S.
What is the molecular weight of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate?
The molecular weight of Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate is 386.03 g/mol.
Where can I buy Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate?
You can request a quote for Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.