Ergocorninine methanesulfonate
TL;DR: Ergocorninine methanesulfonate (CAS 74137-65-8) 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.
(6aS,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: Ergocorninine methanesulfonate, Ergocornine methanesulfonate (salt), Ergotaman-3',6',18-trione, 2',5'-bis(1-methylethyl)-12'-hydroxy-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt), RefChem:1084166
| Molecular Formula | C32H43N5O8S |
|---|---|
| Molecular Weight | 657.28 g/mol |
| LogP | 1.5442 |
| Topological Polar Surface Area | 172.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 657.28326 |
| Heavy Atoms | 46 |
| Complexity | 1728.3251 |
Chemical Identifiers
| CAS Number | 74137-65-8 |
|---|---|
| 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 |
Product Overview
Ergocorninine methanesulfonate (CAS 74137-65-8), with molecular formula C32H43N5O8S and molecular weight 657.28 g/mol. IUPAC: (6aS,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 Ergocorninine methanesulfonate
Property Insights of Ergocorninine methanesulfonate
The XLogP value of 1.5442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergocorninine methanesulfonate. The TPSA of 172.58 Ų indicates high polarity, suggesting Ergocorninine methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergocorninine methanesulfonate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergocorninine methanesulfonate?
The CAS number of Ergocorninine methanesulfonate is 74137-65-8.
What is the molecular formula of Ergocorninine methanesulfonate?
The molecular formula of Ergocorninine methanesulfonate is C32H43N5O8S.
What is the molecular weight of Ergocorninine methanesulfonate?
The molecular weight of Ergocorninine methanesulfonate is 657.28 g/mol.
Where can I buy Ergocorninine methanesulfonate?
You can request a quote for Ergocorninine methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocorninine methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ergocorninine methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.