1L-519S
TL;DR: 1L-519S (CAS 477709-97-0) is a chemical compound with molecular formula C21H11Cl2F3N2O2S and molecular weight 481.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]benzamide
Also Known As: 1L-519S, 3,4-dichloro-N-(3-cyano-4-{[3-(trifluoromethyl)phenyl]sulfinyl}phenyl)benzenecarboxamide, 3,4-dichloro-N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]benzamide, 3,4-dichloro-N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}benzamide, 3,4-dichloro-N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinyl-phenyl]benzamide
| Molecular Formula | C21H11Cl2F3N2O2S |
|---|---|
| Molecular Weight | 481.99 g/mol |
| LogP | 6.30288 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.98703 |
| Heavy Atoms | 31 |
| Complexity | 1240.025 |
Chemical Identifiers
| CAS Number | 477709-97-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N)C(F)(F)F |
Product Overview
1L-519S (CAS 477709-97-0), with molecular formula C21H11Cl2F3N2O2S and molecular weight 481.99 g/mol. IUPAC: 3,4-dichloro-N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]benzamide.
Chemical Property Profile of 1L-519S
Property Insights of 1L-519S
The XLogP value of 6.30288 indicates that 1L-519S 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-519S. Following Lipinski's Rule of Five, 1L-519S 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-519S?
The CAS number of 1L-519S is 477709-97-0.
What is the molecular formula of 1L-519S?
The molecular formula of 1L-519S is C21H11Cl2F3N2O2S.
What is the molecular weight of 1L-519S?
The molecular weight of 1L-519S is 481.99 g/mol.
Where can I buy 1L-519S?
You can request a quote for 1L-519S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-519S?
Yes, KEHONG BIO provides custom synthesis services for 1L-519S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.