Ergocryptinine
TL;DR: Ergocryptinine (CAS 5456-67-7) 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.
(6aS,9R)-N-[(1S,2S,4R,7R)-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: Ergocryptinine, Ergocryptine-alpha, KST-1A5870, (5, A,5'
| 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 | 5456-67-7 |
|---|---|
| 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]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | YDOTUXAWKBPQJW-VQZFRJCTSA-N |
Product Overview
Ergocryptinine (CAS 5456-67-7), with molecular formula C32H41N5O5 and molecular weight 575.31 g/mol. IUPAC: (6aS,9R)-N-[(1S,2S,4R,7R)-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 Ergocryptinine
Property Insights of Ergocryptinine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergocryptinine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergocryptinine. Following Lipinski's Rule of Five, Ergocryptinine 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 Ergocryptinine?
The CAS number of Ergocryptinine is 5456-67-7.
What is the molecular formula of Ergocryptinine?
The molecular formula of Ergocryptinine is C32H41N5O5.
What is the molecular weight of Ergocryptinine?
The molecular weight of Ergocryptinine is 575.31 g/mol.
Where can I buy Ergocryptinine?
You can request a quote for Ergocryptinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocryptinine?
Yes, KEHONG BIO provides custom synthesis services for Ergocryptinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.