Dihydergot
TL;DR: Dihydergot (CAS 11032-41-0) is a chemical compound with molecular formula C34H41N5O8S and molecular weight 679.2676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-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;methanesulfonic acid
Also Known As: Dihydergot, Migranal, Dihydroergotamine mesylate, dihydroergotamine, Dergotamine
Technical Specifications
| Molecular Formula | C34H41N5O8S |
| Molecular Weight | 679.2676 g/mol |
| XLogP | 1.5851 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 679.2676 Da |
| Heavy Atoms | 48 |
| Complexity | 1260.0 |
| SMILES | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
| InChIKey | ADYPXRFPBQGGAH-UHFFFAOYSA-N |
Chemical Property Profile of Dihydergot
Property Insights of Dihydergot
The XLogP value of 1.5851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydergot. The TPSA of 181.0 Ų indicates high polarity, suggesting Dihydergot may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydergot has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dihydergot?
The CAS number of Dihydergot is 11032-41-0.
What is the molecular formula of Dihydergot?
The molecular formula of Dihydergot is C34H41N5O8S.
What is the molecular weight of Dihydergot?
The molecular weight of Dihydergot is 679.2676 g/mol.
Where can I buy Dihydergot?
You can request a quote for Dihydergot directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydergot?
Yes, CoreyChem provides custom synthesis services for Dihydergot and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.