Roxindole mesylate
TL;DR: Roxindole mesylate (CAS 112192-04-8) is a chemical compound with molecular formula C24H30N2O4S and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Also Known As: roxindole mesylate, Roxindole, Roxindole mesilate, Roxindole methanesulfonate, Roxindole methanesulfonate salt
| Molecular Formula | C24H30N2O4S |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 4.4895 |
| Topological Polar Surface Area | 93.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.19263 |
| Heavy Atoms | 31 |
| Complexity | 1112.9467 |
Chemical Identifiers
| CAS Number | 112192-04-8 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O |
Product Overview
Roxindole mesylate (CAS 112192-04-8), with molecular formula C24H30N2O4S and molecular weight 442.19 g/mol. IUPAC: methanesulfonic acid;3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol.
Chemical Property Profile of Roxindole mesylate
Property Insights of Roxindole mesylate
The XLogP value of 4.4895 indicates that Roxindole mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxindole mesylate. Following Lipinski's Rule of Five, Roxindole mesylate has 3 hydrogen bond donor(s) and 4 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 Roxindole mesylate?
The CAS number of Roxindole mesylate is 112192-04-8.
What is the molecular formula of Roxindole mesylate?
The molecular formula of Roxindole mesylate is C24H30N2O4S.
What is the molecular weight of Roxindole mesylate?
The molecular weight of Roxindole mesylate is 442.19 g/mol.
Where can I buy Roxindole mesylate?
You can request a quote for Roxindole mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxindole mesylate?
Yes, KEHONG BIO provides custom synthesis services for Roxindole mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.