Ergokryptine
TL;DR: Ergokryptine (CAS 511-09-1) is a chemical compound with molecular formula C32H41N5O5 and molecular weight 575.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: alpha-Ergocryptine, Ergocryptine, Ergokryptine, ergocriptine, ergokryptin
| Molecular Formula | C32H41N5O5 |
|---|---|
| Molecular Weight | 575.31 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 575.3108 |
| Heavy Atoms | 42 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 511-09-1 |
|---|---|
| SMILES | CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | YDOTUXAWKBPQJW-UHFFFAOYSA-N |
Product Overview
Ergokryptine (CAS 511-09-1), with molecular formula C32H41N5O5 and molecular weight 575.31 g/mol. IUPAC: N-[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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergokryptine
Property Insights of Ergokryptine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergokryptine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergokryptine. Following Lipinski's Rule of Five, Ergokryptine 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 Ergokryptine?
The CAS number of Ergokryptine is 511-09-1.
What is the molecular formula of Ergokryptine?
The molecular formula of Ergokryptine is C32H41N5O5.
What is the molecular weight of Ergokryptine?
The molecular weight of Ergokryptine is 575.31 g/mol.
Where can I buy Ergokryptine?
You can request a quote for Ergokryptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergokryptine?
Yes, KEHONG BIO provides custom synthesis services for Ergokryptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.