BAS 04456640
TL;DR: BAS 04456640 (CAS 5168-46-7) is a chemical compound with molecular formula C25H11Cl3F3NO2S2 and molecular weight 582.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-chloro-1-benzothiophene-2-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide
Also Known As: BAS 04456640, 3-Chloro-N-(2-chloro-1-benzothiophene-3-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide, 2-chloro-N-(3-chloro-1-benzothiophene-2-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide
| Molecular Formula | C25H11Cl3F3NO2S2 |
|---|---|
| Molecular Weight | 582.92 g/mol |
| LogP | 9.5822 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 582.92487 |
| Heavy Atoms | 36 |
| Complexity | 1676.7222 |
Chemical Identifiers
| CAS Number | 5168-46-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)Cl)C(=O)N(C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
BAS 04456640 (CAS 5168-46-7), with molecular formula C25H11Cl3F3NO2S2 and molecular weight 582.92 g/mol. IUPAC: 2-chloro-N-(3-chloro-1-benzothiophene-2-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 04456640
Property Insights of BAS 04456640
The XLogP value of 9.5822 indicates that BAS 04456640 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 04456640 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04456640 has 0 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 BAS 04456640?
The CAS number of BAS 04456640 is 5168-46-7.
What is the molecular formula of BAS 04456640?
The molecular formula of BAS 04456640 is C25H11Cl3F3NO2S2.
What is the molecular weight of BAS 04456640?
The molecular weight of BAS 04456640 is 582.92 g/mol.
Where can I buy BAS 04456640?
You can request a quote for BAS 04456640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04456640?
Yes, KEHONG BIO provides custom synthesis services for BAS 04456640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.