Dihydro-beta-Ergocryptine Mesylate
TL;DR: Dihydro-beta-Ergocryptine Mesylate (CAS 65914-79-6) is a chemical compound with molecular formula C33H47N5O8S and molecular weight 673.31 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)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Also Known As: Dihydro-beta-ergocryptine mesylate, EPICRIPTINE MESILATE, EPICRIPTINE MESYLATE, EINECS 265-975-9, Dihydro-.beta.-ergocryptine mesilate
| Molecular Formula | C33H47N5O8S |
|---|---|
| Molecular Weight | 673.31 g/mol |
| LogP | 2.0246 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 673.3145 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 65914-79-6 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O |
| InChIKey | YKEUOHBRJUALFI-ILSKZLILSA-N |
Product Overview
Dihydro-beta-Ergocryptine Mesylate (CAS 65914-79-6), with molecular formula C33H47N5O8S and molecular weight 673.31 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid.
Chemical Property Profile of Dihydro-beta-Ergocryptine Mesylate
Property Insights of Dihydro-beta-Ergocryptine Mesylate
The XLogP value of 2.0246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-beta-Ergocryptine Mesylate. The TPSA of 181.0 Ų indicates high polarity, suggesting Dihydro-beta-Ergocryptine Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydro-beta-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 Dihydro-beta-Ergocryptine Mesylate?
The CAS number of Dihydro-beta-Ergocryptine Mesylate is 65914-79-6.
What is the molecular formula of Dihydro-beta-Ergocryptine Mesylate?
The molecular formula of Dihydro-beta-Ergocryptine Mesylate is C33H47N5O8S.
What is the molecular weight of Dihydro-beta-Ergocryptine Mesylate?
The molecular weight of Dihydro-beta-Ergocryptine Mesylate is 673.31 g/mol.
Where can I buy Dihydro-beta-Ergocryptine Mesylate?
You can request a quote for Dihydro-beta-Ergocryptine Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro-beta-Ergocryptine Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Dihydro-beta-Ergocryptine Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.