Ergosine, dihydro-, tartrate
TL;DR: Ergosine, dihydro-, tartrate (CAS 73986-92-2) is a chemical compound with molecular formula C34H45N5O11 and molecular weight 699.31 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-4-methyl-7-(2-methylpropyl)-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;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: Dihydroergosine tartrate, Ergosine, dihydro-, tartrate, Ergosine,dihydro-,tartrate, (2R,3R)-2,3-Dihydroxybutanedioic acid--N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-methyl-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8beta-carboximidic acid (1/1), 2,3-Dihydroxybutanedioic acid--N-[10b-hydroxy-2-methyl-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid (1/1)
| Molecular Formula | C34H45N5O11 |
|---|---|
| Molecular Weight | 699.31 g/mol |
| LogP | -0.2381 |
| Topological Polar Surface Area | 233.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 699.3116 |
| Heavy Atoms | 50 |
| Complexity | 1694.9906 |
Chemical Identifiers
| CAS Number | 73986-92-2 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
Ergosine, dihydro-, tartrate (CAS 73986-92-2), with molecular formula C34H45N5O11 and molecular weight 699.31 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-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;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Ergosine, dihydro-, tartrate
Property Insights of Ergosine, dihydro-, tartrate
The XLogP value of -0.2381 indicates that Ergosine, dihydro-, tartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.27 Ų indicates high polarity, suggesting Ergosine, dihydro-, tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergosine, dihydro-, tartrate has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergosine, dihydro-, tartrate?
The CAS number of Ergosine, dihydro-, tartrate is 73986-92-2.
What is the molecular formula of Ergosine, dihydro-, tartrate?
The molecular formula of Ergosine, dihydro-, tartrate is C34H45N5O11.
What is the molecular weight of Ergosine, dihydro-, tartrate?
The molecular weight of Ergosine, dihydro-, tartrate is 699.31 g/mol.
Where can I buy Ergosine, dihydro-, tartrate?
You can request a quote for Ergosine, dihydro-, tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosine, dihydro-, tartrate?
Yes, KEHONG BIO provides custom synthesis services for Ergosine, dihydro-, tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.