EINECS 259-186-9
TL;DR: EINECS 259-186-9 (CAS 54494-56-3) is a chemical compound with molecular formula C20H18ClF3N2O4S and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate;hydrochloride
Also Known As: EINECS 259-186-9, 2,3-dihydroxypropyl 2-[[8-[(trifluoromethyl)thio]-4-quinolyl]amino]benzoate hydrochloride, 2,3-Dihydroxypropyl 2-((8-((trifluoromethyl)thio)-4-quinolyl)amino)benzoate hydrochloride, 2,3-dihydroxypropyl2-[[8-[ thio]-4-quinolyl]amino]benzoatehydrochloride, 2,3-Dihydroxypropyl 2-({8-[(trifluoromethyl)sulfanyl]quinolin-4-yl}amino)benzoate--hydrogen chloride (1/1)
| Molecular Formula | C20H18ClF3N2O4S |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 4.5221 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.0628 |
| Heavy Atoms | 31 |
| Complexity | 1052.3539 |
Chemical Identifiers
| CAS Number | 54494-56-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)SC(F)(F)F.Cl |
Product Overview
EINECS 259-186-9 (CAS 54494-56-3), with molecular formula C20H18ClF3N2O4S and molecular weight 474.06 g/mol. IUPAC: 2,3-dihydroxypropyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate;hydrochloride.
Chemical Property Profile of EINECS 259-186-9
Property Insights of EINECS 259-186-9
The XLogP value of 4.5221 indicates that EINECS 259-186-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-186-9. Following Lipinski's Rule of Five, EINECS 259-186-9 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 259-186-9?
The CAS number of EINECS 259-186-9 is 54494-56-3.
What is the molecular formula of EINECS 259-186-9?
The molecular formula of EINECS 259-186-9 is C20H18ClF3N2O4S.
What is the molecular weight of EINECS 259-186-9?
The molecular weight of EINECS 259-186-9 is 474.06 g/mol.
Where can I buy EINECS 259-186-9?
You can request a quote for EINECS 259-186-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-186-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-186-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.