1L-550S
TL;DR: 1L-550S (CAS 477866-91-4) is a chemical compound with molecular formula C22H12F6N2O3S and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-3-(trifluoromethyl)benzamide
Also Known As: 1L-550S, N-(3-cyano-4-{[3-(trifluoromethyl)phenyl]sulfonyl}phenyl)-3-(trifluoromethyl)benzenecarboxamide, N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-3-(trifluoromethyl)benzamide, N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfonyl]phenyl}-3-(trifluoromethyl)benzamide
| Molecular Formula | C22H12F6N2O3S |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 5.68098 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.04727 |
| Heavy Atoms | 34 |
| Complexity | 1407.1129 |
Chemical Identifiers
| CAS Number | 477866-91-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C#N |
Product Overview
1L-550S (CAS 477866-91-4), with molecular formula C22H12F6N2O3S and molecular weight 498.05 g/mol. IUPAC: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 1L-550S
Property Insights of 1L-550S
The XLogP value of 5.68098 indicates that 1L-550S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-550S. Following Lipinski's Rule of Five, 1L-550S 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 1L-550S?
The CAS number of 1L-550S is 477866-91-4.
What is the molecular formula of 1L-550S?
The molecular formula of 1L-550S is C22H12F6N2O3S.
What is the molecular weight of 1L-550S?
The molecular weight of 1L-550S is 498.05 g/mol.
Where can I buy 1L-550S?
You can request a quote for 1L-550S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-550S?
Yes, KEHONG BIO provides custom synthesis services for 1L-550S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.