Dihydroergotoxine Mesylate
TL;DR: Dihydroergotoxine Mesylate (CAS 8067-24-1) is a chemical compound with molecular formula C33H45N5O5 and molecular weight 591.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-hydroxy-7-(2-methylbutan-2-yl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Alkergot, Ergoloid mesylate, Gerimal, Circanol, Hydergin
| Molecular Formula | C33H45N5O5 |
|---|---|
| Molecular Weight | 591.34 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 591.34204 |
| Heavy Atoms | 43 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 8067-24-1 |
|---|---|
| SMILES | CCC(C)(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O |
| InChIKey | YLXBZBPHTNJZQE-UHFFFAOYSA-N |
Product Overview
Dihydroergotoxine Mesylate (CAS 8067-24-1), with molecular formula C33H45N5O5 and molecular weight 591.34 g/mol. IUPAC: N-[2-hydroxy-7-(2-methylbutan-2-yl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Dihydroergotoxine Mesylate
Property Insights of Dihydroergotoxine Mesylate
The XLogP value of 3.5 indicates that Dihydroergotoxine Mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroergotoxine Mesylate. Following Lipinski's Rule of Five, Dihydroergotoxine Mesylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroergotoxine Mesylate?
The CAS number of Dihydroergotoxine Mesylate is 8067-24-1.
What is the molecular formula of Dihydroergotoxine Mesylate?
The molecular formula of Dihydroergotoxine Mesylate is C33H45N5O5.
What is the molecular weight of Dihydroergotoxine Mesylate?
The molecular weight of Dihydroergotoxine Mesylate is 591.34 g/mol.
Where can I buy Dihydroergotoxine Mesylate?
You can request a quote for Dihydroergotoxine Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroergotoxine Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Dihydroergotoxine Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.