Donitriptan mesylate
TL;DR: Donitriptan mesylate (CAS 200615-15-2) is a chemical compound with molecular formula C24H29N5O5S and molecular weight 499.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;methanesulfonic acid
Also Known As: Donitriptan mesylate, Donitriptan mesilate, Donitriptan (mesylate), F-12640, 4-(4-(2-((3-(2-aminoethyl)-1H-indol-5-yl)oxy)acetyl)piperazin-1-yl)benzonitrile methanesulfonate
| Molecular Formula | C24H29N5O5S |
|---|---|
| Molecular Weight | 499.19 g/mol |
| LogP | 1.77238 |
| Topological Polar Surface Area | 152.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.18893 |
| Heavy Atoms | 35 |
| Complexity | 1282.0812 |
Chemical Identifiers
| CAS Number | 200615-15-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN |
Product Overview
Donitriptan mesylate (CAS 200615-15-2), with molecular formula C24H29N5O5S and molecular weight 499.19 g/mol. IUPAC: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;methanesulfonic acid.
Chemical Property Profile of Donitriptan mesylate
Property Insights of Donitriptan mesylate
The XLogP value of 1.77238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Donitriptan mesylate. The TPSA of 152.75 Ų indicates high polarity, suggesting Donitriptan mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Donitriptan mesylate has 3 hydrogen bond donor(s) and 7 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 Donitriptan mesylate?
The CAS number of Donitriptan mesylate is 200615-15-2.
What is the molecular formula of Donitriptan mesylate?
The molecular formula of Donitriptan mesylate is C24H29N5O5S.
What is the molecular weight of Donitriptan mesylate?
The molecular weight of Donitriptan mesylate is 499.19 g/mol.
Where can I buy Donitriptan mesylate?
You can request a quote for Donitriptan mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Donitriptan mesylate?
Yes, KEHONG BIO provides custom synthesis services for Donitriptan mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.