RefChem:1094868
TL;DR: RefChem:1094868 (CAS 134987-54-5) is a chemical compound with molecular formula C19H20FNO5S and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[2-[(dimethylamino)methyl]-5-fluorophenyl]sulfanylphenol
Also Known As: N,N-Dimethyl-4-fluoro-2-(3-hydroxyphenylthio)benzylamine maleate, 3-((2-((Dimethylamino)methyl)-5-fluorophenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt), Phenol, 3-((2-((dimethylamino)methyl)-5-fluorophenyl)thio)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)-5-fluorophenyl]sulfanylphenol, RefChem:1094868
| Molecular Formula | C19H20FNO5S |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 3.4559 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1046 |
| Heavy Atoms | 27 |
| Complexity | 807.4974 |
Chemical Identifiers
| CAS Number | 134987-54-5 |
|---|---|
| SMILES | CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1094868 (CAS 134987-54-5), with molecular formula C19H20FNO5S and molecular weight 393.10 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[2-[(dimethylamino)methyl]-5-fluorophenyl]sulfanylphenol.
Chemical Property Profile of RefChem:1094868
Property Insights of RefChem:1094868
The XLogP value of 3.4559 indicates that RefChem:1094868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094868. Following Lipinski's Rule of Five, RefChem:1094868 has 3 hydrogen bond donor(s) and 5 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 RefChem:1094868?
The CAS number of RefChem:1094868 is 134987-54-5.
What is the molecular formula of RefChem:1094868?
The molecular formula of RefChem:1094868 is C19H20FNO5S.
What is the molecular weight of RefChem:1094868?
The molecular weight of RefChem:1094868 is 393.10 g/mol.
Where can I buy RefChem:1094868?
You can request a quote for RefChem:1094868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.