BAS 00114659
TL;DR: BAS 00114659 (CAS 7318-26-5) is a chemical compound with molecular formula C18H19F3N4O6S and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-hydroxyethyl)-3-methyl-4-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethanol
Also Known As: BAS 00114659, 2-[N-(2-hydroxyethyl)-3-methyl-4-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethanol, Ethanol, 2,2'-[[4-[[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]azo]-m-tolyl]imino]di- (7CI,8CI), Ethanol, 2,2'-[[4-[[2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl]azo]-m-tolyl]imino]di-(7CI,8CI)
| Molecular Formula | C18H19F3N4O6S |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 3.40312 |
| Topological Polar Surface Area | 145.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.09775 |
| Heavy Atoms | 32 |
| Complexity | 1116.1835 |
Chemical Identifiers
| CAS Number | 7318-26-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
BAS 00114659 (CAS 7318-26-5), with molecular formula C18H19F3N4O6S and molecular weight 476.10 g/mol. IUPAC: 2-[N-(2-hydroxyethyl)-3-methyl-4-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethanol.
Chemical Property Profile of BAS 00114659
Property Insights of BAS 00114659
The XLogP value of 3.40312 indicates that BAS 00114659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.7 Ų indicates high polarity, suggesting BAS 00114659 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00114659 has 2 hydrogen bond donor(s) and 9 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 BAS 00114659?
The CAS number of BAS 00114659 is 7318-26-5.
What is the molecular formula of BAS 00114659?
The molecular formula of BAS 00114659 is C18H19F3N4O6S.
What is the molecular weight of BAS 00114659?
The molecular weight of BAS 00114659 is 476.10 g/mol.
Where can I buy BAS 00114659?
You can request a quote for BAS 00114659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00114659?
Yes, KEHONG BIO provides custom synthesis services for BAS 00114659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.