BAS 00550554
TL;DR: BAS 00550554 (CAS 5632-65-5) is a chemical compound with molecular formula C24H22ClF3N2O3S2 and molecular weight 542.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
Also Known As: BAS 00550554, N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-2-[(phenylsulfonyl)-3-(trifluoromethyl)anilino]acetamide, 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide, N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-N~2~-(phenylsulfonyl)-N~2~-[3-(trifluoromethyl)phenyl]glycinamide, N-{2-[(4-chlorophenyl)methylthio]ethyl}-2-{(phenylsulfonyl)[3-(trifluoromethyl )phenyl]amino}acetamide
| Molecular Formula | C24H22ClF3N2O3S2 |
|---|---|
| Molecular Weight | 542.07 g/mol |
| LogP | 5.6037 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.0712 |
| Heavy Atoms | 35 |
| Complexity | 1238.8741 |
Chemical Identifiers
| CAS Number | 5632-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 00550554 (CAS 5632-65-5), with molecular formula C24H22ClF3N2O3S2 and molecular weight 542.07 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide.
Chemical Property Profile of BAS 00550554
Property Insights of BAS 00550554
The XLogP value of 5.6037 indicates that BAS 00550554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00550554. Following Lipinski's Rule of Five, BAS 00550554 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 BAS 00550554?
The CAS number of BAS 00550554 is 5632-65-5.
What is the molecular formula of BAS 00550554?
The molecular formula of BAS 00550554 is C24H22ClF3N2O3S2.
What is the molecular weight of BAS 00550554?
The molecular weight of BAS 00550554 is 542.07 g/mol.
Where can I buy BAS 00550554?
You can request a quote for BAS 00550554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00550554?
Yes, KEHONG BIO provides custom synthesis services for BAS 00550554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.