Ergovaline
TL;DR: Ergovaline (CAS 2873-38-3) is a chemical compound with molecular formula C29H35N5O5 and molecular weight 533.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-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: Ergovaline, aci-Ergovaline, 12'-Hydroxy-2'-methyl-5'alpha-(1-methylethyl)-ergotaman-3',6',18-trione, (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-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, 12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione
| Molecular Formula | C29H35N5O5 |
|---|---|
| Molecular Weight | 533.26 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.2638 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 2873-38-3 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | BGHDUTQZGWOQIA-VQSKNWBGSA-N |
Product Overview
Ergovaline (CAS 2873-38-3), with molecular formula C29H35N5O5 and molecular weight 533.26 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-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 Ergovaline
Property Insights of Ergovaline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergovaline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergovaline. Following Lipinski's Rule of Five, Ergovaline 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 Ergovaline?
The CAS number of Ergovaline is 2873-38-3.
What is the molecular formula of Ergovaline?
The molecular formula of Ergovaline is C29H35N5O5.
What is the molecular weight of Ergovaline?
The molecular weight of Ergovaline is 533.26 g/mol.
Where can I buy Ergovaline?
You can request a quote for Ergovaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergovaline?
Yes, KEHONG BIO provides custom synthesis services for Ergovaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.