Dihydroergocryptine
TL;DR: Dihydroergocryptine (CAS 25447-66-9) is a chemical compound with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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: Dihydroergocryptine, Dihydroergokryptine, Dihydro-alpha-ergocryptine, Dihydroergocriptine, Almirid
| Molecular Formula | C32H43N5O5 |
|---|---|
| Molecular Weight | 577.33 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.3264 |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
| Melting Point | 117 |
| Boiling Point | Decomposes |
Chemical Identifiers
| CAS Number | 25447-66-9 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O |
| InChIKey | PBUNVLRHZGSROC-VTIMJTGVSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroergocryptine (CAS 25447-66-9), with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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 Dihydroergocryptine
Property Insights of Dihydroergocryptine
The XLogP value of 3.1 indicates that Dihydroergocryptine 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 Dihydroergocryptine. Following Lipinski's Rule of Five, Dihydroergocryptine 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 Dihydroergocryptine?
The CAS number of Dihydroergocryptine is 25447-66-9.
What is the molecular formula of Dihydroergocryptine?
The molecular formula of Dihydroergocryptine is C32H43N5O5.
What is the molecular weight of Dihydroergocryptine?
The molecular weight of Dihydroergocryptine is 577.33 g/mol.
Where can I buy Dihydroergocryptine?
You can request a quote for Dihydroergocryptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroergocryptine?
Yes, KEHONG BIO provides custom synthesis services for Dihydroergocryptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.