alpha-Ergocryptine mesylate
TL;DR: alpha-Ergocryptine mesylate (CAS 279-27-6) is a chemical compound with molecular formula C33H45N5O8S and molecular weight 671.30 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-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;methanesulfonic acid
Also Known As: Ergocryptine mesylate, Ergocryptine, alpha-Ergocryptine mesylate, Ergocryptine methanesulfonate, Ergokryptine methanesulfonate
| Molecular Formula | C33H45N5O8S |
|---|---|
| Molecular Weight | 671.30 g/mol |
| LogP | 1.9343 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 671.2989 |
| Heavy Atoms | 47 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 279-27-6 |
|---|---|
| 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.CS(=O)(=O)O |
| InChIKey | LVANISFDPWIHDR-DRHOTACKSA-N |
Product Overview
alpha-Ergocryptine mesylate (CAS 279-27-6), with molecular formula C33H45N5O8S and molecular weight 671.30 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-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;methanesulfonic acid.
Chemical Property Profile of alpha-Ergocryptine mesylate
Property Insights of alpha-Ergocryptine mesylate
The XLogP value of 1.9343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ergocryptine mesylate. The TPSA of 181.0 Ų indicates high polarity, suggesting alpha-Ergocryptine mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Ergocryptine 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 alpha-Ergocryptine mesylate?
The CAS number of alpha-Ergocryptine mesylate is 279-27-6.
What is the molecular formula of alpha-Ergocryptine mesylate?
The molecular formula of alpha-Ergocryptine mesylate is C33H45N5O8S.
What is the molecular weight of alpha-Ergocryptine mesylate?
The molecular weight of alpha-Ergocryptine mesylate is 671.30 g/mol.
Where can I buy alpha-Ergocryptine mesylate?
You can request a quote for alpha-Ergocryptine mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ergocryptine mesylate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ergocryptine mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.