Ergocornine mesylate
TL;DR: Ergocornine mesylate (CAS 2207-69-4) is a chemical compound with molecular formula C32H43N5O8S and molecular weight 657.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-5,8-dioxo-4,7-di(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;methanesulfonic acid
Also Known As: Ergocornine mesylate, Ergocornine methanesulfonate, Ergocornine methanesulphonate, Ergocornine methanesulfonate (salt), ERGOCORNINE, METHANESULFONATE
| Molecular Formula | C32H43N5O8S |
|---|---|
| Molecular Weight | 657.28 g/mol |
| LogP | 1.5442 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 657.28326 |
| Heavy Atoms | 46 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 2207-69-4 |
|---|---|
| SMILES | CC(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.CS(=O)(=O)O |
| InChIKey | JSSWJSBXBKEBMS-JDFJKJGNSA-N |
Product Overview
Ergocornine mesylate (CAS 2207-69-4), with molecular formula C32H43N5O8S and molecular weight 657.28 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-5,8-dioxo-4,7-di(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;methanesulfonic acid.
Chemical Property Profile of Ergocornine mesylate
Property Insights of Ergocornine mesylate
The XLogP value of 1.5442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergocornine mesylate. The TPSA of 181.0 Ų indicates high polarity, suggesting Ergocornine mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergocornine mesylate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergocornine mesylate?
The CAS number of Ergocornine mesylate is 2207-69-4.
What is the molecular formula of Ergocornine mesylate?
The molecular formula of Ergocornine mesylate is C32H43N5O8S.
What is the molecular weight of Ergocornine mesylate?
The molecular weight of Ergocornine mesylate is 657.28 g/mol.
Where can I buy Ergocornine mesylate?
You can request a quote for Ergocornine mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocornine mesylate?
Yes, KEHONG BIO provides custom synthesis services for Ergocornine mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.