ChemDiv1_006658
TL;DR: ChemDiv1_006658 (CAS 347337-41-1) is a chemical compound with molecular formula C20H15ClF3N3O3S and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: ChemDiv1_006658, (3-chloro-1-benzothiophen-2-yl){4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, (3-chloro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, 3-chlorobenzo[b]thiophen-2-yl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazinyl ketone, 1-(3-CHLORO-1-BENZOTHIOPHENE-2-CARBONYL)-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
| Molecular Formula | C20H15ClF3N3O3S |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 5.4441 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.0475 |
| Heavy Atoms | 31 |
| Complexity | 1173.4219 |
Chemical Identifiers
| CAS Number | 347337-41-1 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
ChemDiv1_006658 (CAS 347337-41-1), with molecular formula C20H15ClF3N3O3S and molecular weight 469.05 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_006658
Property Insights of ChemDiv1_006658
The XLogP value of 5.4441 indicates that ChemDiv1_006658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006658. Following Lipinski's Rule of Five, ChemDiv1_006658 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006658?
The CAS number of ChemDiv1_006658 is 347337-41-1.
What is the molecular formula of ChemDiv1_006658?
The molecular formula of ChemDiv1_006658 is C20H15ClF3N3O3S.
What is the molecular weight of ChemDiv1_006658?
The molecular weight of ChemDiv1_006658 is 469.05 g/mol.
Where can I buy ChemDiv1_006658?
You can request a quote for ChemDiv1_006658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006658?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.