RefChem:1058172
TL;DR: RefChem:1058172 (CAS 113829-56-4) is a chemical compound with molecular formula C19H24N2O5S and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(2R,6R)-2-(1H-indol-4-yl)-4-methyl-6-(methylsulfanylmethyl)morpholine
Also Known As: cis-(+-)-4-(4-Methyl-6-((methylthio)methyl)-2-morpholinyl)-1H-indole, 1H-Indole, 4-(4-methyl-6-((methylthio)methyl)-2-morpholinyl)-, cis-(+-)-, (E)-2-butenedioate, 4-((2R-cis) 4-Methyl-6-((methylthio)methyl)-2-morpholinyl)-1H-indole (dl) fumarate, (E)-but-2-enedioic acid; (2R,6R)-2-(1H-indol-4-yl)-4-methyl-6-(methylsulfanylmethyl)morpholine, RefChem:1058172
| Molecular Formula | C19H24N2O5S |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.6144 |
| Topological Polar Surface Area | 102.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1406 |
| Heavy Atoms | 27 |
| Complexity | 788.24884 |
Chemical Identifiers
| CAS Number | 113829-56-4 |
|---|---|
| SMILES | CN1C[C@@H](O[C@@H](C1)C2=C3C=CNC3=CC=C2)CSC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058172 (CAS 113829-56-4), with molecular formula C19H24N2O5S and molecular weight 392.14 g/mol. IUPAC: (E)-but-2-enedioic acid;(2R,6R)-2-(1H-indol-4-yl)-4-methyl-6-(methylsulfanylmethyl)morpholine.
Chemical Property Profile of RefChem:1058172
Property Insights of RefChem:1058172
The XLogP value of 2.6144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058172. The TPSA of 102.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058172. Following Lipinski's Rule of Five, RefChem:1058172 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:1058172?
The CAS number of RefChem:1058172 is 113829-56-4.
What is the molecular formula of RefChem:1058172?
The molecular formula of RefChem:1058172 is C19H24N2O5S.
What is the molecular weight of RefChem:1058172?
The molecular weight of RefChem:1058172 is 392.14 g/mol.
Where can I buy RefChem:1058172?
You can request a quote for RefChem:1058172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.