1L-518S
TL;DR: 1L-518S (CAS 477709-96-9) is a chemical compound with molecular formula C21H12F4N2O2S and molecular weight 432.06 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]sulfinylphenyl]-4-fluorobenzamide
Also Known As: 1L-518S, N-(3-cyano-4-{[3-(trifluoromethyl)phenyl]sulfinyl}phenyl)-4-fluorobenzenecarboxamide, N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]-4-fluorobenzamide, N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}-4-fluorobenzamide, N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinyl-phenyl]-4-fluoro-benzamide
| Molecular Formula | C21H12F4N2O2S |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 5.13518 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.05557 |
| Heavy Atoms | 30 |
| Complexity | 1168.8593 |
Chemical Identifiers
| CAS Number | 477709-96-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C#N)C(F)(F)F |
Product Overview
1L-518S (CAS 477709-96-9), with molecular formula C21H12F4N2O2S and molecular weight 432.06 g/mol. IUPAC: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]-4-fluorobenzamide.
Chemical Property Profile of 1L-518S
Property Insights of 1L-518S
The XLogP value of 5.13518 indicates that 1L-518S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-518S. Following Lipinski's Rule of Five, 1L-518S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1L-518S?
The CAS number of 1L-518S is 477709-96-9.
What is the molecular formula of 1L-518S?
The molecular formula of 1L-518S is C21H12F4N2O2S.
What is the molecular weight of 1L-518S?
The molecular weight of 1L-518S is 432.06 g/mol.
Where can I buy 1L-518S?
You can request a quote for 1L-518S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-518S?
Yes, KEHONG BIO provides custom synthesis services for 1L-518S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.