EINECS 250-058-8
TL;DR: EINECS 250-058-8 (CAS 30119-19-8) is a chemical compound with molecular formula C16H9Cl2F4NO4S and molecular weight 456.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoyl]oxybenzoic acid
Also Known As: EINECS 250-058-8, 2-[[3-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]benzoyl]oxy]benzoic acid, 2-((3-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoyl)oxy)benzoic acid, 2-(3-((Dichloro(fluoro)methyl)sulfanyl-(trifluoromethyl)amino)benzoyl)oxybenzoic acid, BENZOIC ACID, 2-((3-(((DICHLOROFLUOROMETHYL)THIO)(TRIFLUOROMETHYL)AMINO)BENZOYL)OXY)-
| Molecular Formula | C16H9Cl2F4NO4S |
|---|---|
| Molecular Weight | 456.96 g/mol |
| LogP | 5.6368 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.95654 |
| Heavy Atoms | 28 |
| Complexity | 889.43335 |
Chemical Identifiers
| CAS Number | 30119-19-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CC(=CC=C2)N(C(F)(F)F)SC(F)(Cl)Cl |
Product Overview
EINECS 250-058-8 (CAS 30119-19-8), with molecular formula C16H9Cl2F4NO4S and molecular weight 456.96 g/mol. IUPAC: 2-[3-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoyl]oxybenzoic acid.
Chemical Property Profile of EINECS 250-058-8
Property Insights of EINECS 250-058-8
The XLogP value of 5.6368 indicates that EINECS 250-058-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 250-058-8. Following Lipinski's Rule of Five, EINECS 250-058-8 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 250-058-8?
The CAS number of EINECS 250-058-8 is 30119-19-8.
What is the molecular formula of EINECS 250-058-8?
The molecular formula of EINECS 250-058-8 is C16H9Cl2F4NO4S.
What is the molecular weight of EINECS 250-058-8?
The molecular weight of EINECS 250-058-8 is 456.96 g/mol.
Where can I buy EINECS 250-058-8?
You can request a quote for EINECS 250-058-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 250-058-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 250-058-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.