![N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide structure](/static/products/6802/680218-92-2.webp)
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 680218-92-2) is a chemical compound with molecular formula C23H24ClN3O2S and molecular weight 441.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide, N-[4-(4-butanoylpiperazinyl)phenyl](3-chlorobenzo[b]thiophen-2-yl)carboxamide, N-[4-(4-butyryl-1-piperazinyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H24ClN3O2S |
|---|---|
| Molecular Weight | 441.13 g/mol |
| LogP | 5.2557 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.12778 |
| Heavy Atoms | 30 |
| Complexity | 1056.0004 |
Chemical Identifiers
| CAS Number | 680218-92-2 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 680218-92-2), with molecular formula C23H24ClN3O2S and molecular weight 441.13 g/mol. IUPAC: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 5.2557 indicates that N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is 680218-92-2.
What is the molecular formula of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is C23H24ClN3O2S.
What is the molecular weight of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide is 441.13 g/mol.
Where can I buy N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.