Dihydroegotamine
TL;DR: Dihydroegotamine (CAS 511-12-6) is a chemical compound with molecular formula C33H37N5O5 and molecular weight 583.2795 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
Also Known As: dihydroergotamine, Dihydroegotamine, Agit, Dehydroergotamine, 9,10-Dihydroergotamine
Technical Specifications
| Molecular Formula | C33H37N5O5 |
| Molecular Weight | 583.2795 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 583.2795 Da |
| Heavy Atoms | 43 |
| Complexity | 1160.0 |
| 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 |
| InChIKey | LUZRJRNZXALNLM-UHFFFAOYSA-N |
Product Description
Applications: Dihydroegotamine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dihydroegotamine (CAS 511-12-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dihydroegotamine (CAS 511-12-6) is a fine chemical with the molecular formula C33H37N5O5 and a molecular weight of 583.28 g/mol. It is also known as dihydroergotamine and Dihydroegotamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dihydroegotamine
Property Insights of Dihydroegotamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroegotamine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroegotamine. Following Lipinski's Rule of Five, Dihydroegotamine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dihydroegotamine?
The CAS number of Dihydroegotamine is 511-12-6.
What is the molecular formula of Dihydroegotamine?
The molecular formula of Dihydroegotamine is C33H37N5O5.
What is the molecular weight of Dihydroegotamine?
The molecular weight of Dihydroegotamine is 583.2795 g/mol.
What are the applications of Dihydroegotamine?
Dihydroegotamine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dihydroegotamine (CAS 511-12-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Dihydroegotamine?
You can request a quote for Dihydroegotamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydroegotamine?
Yes, CoreyChem provides custom synthesis services for Dihydroegotamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.