Ergosinine methanesulfonate
TL;DR: Ergosinine methanesulfonate (CAS 74137-67-0) is a chemical compound with molecular formula C31H41N5O8S and molecular weight 643.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,9R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Also Known As: Framycort, Pyrethrol P, Ergosinine methanesulfonate, Ergosinine monomethanesulfonate, KST-1A8182
| Molecular Formula | C31H41N5O8S |
|---|---|
| Molecular Weight | 643.27 g/mol |
| LogP | 1.2982 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 643.2676 |
| Heavy Atoms | 45 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 74137-67-0 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O |
| InChIKey | ZXYJWXZEYMJKGE-DGEKCGBDSA-N |
Product Overview
Ergosinine methanesulfonate (CAS 74137-67-0), with molecular formula C31H41N5O8S and molecular weight 643.27 g/mol. IUPAC: (6aS,9R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid.
Chemical Property Profile of Ergosinine methanesulfonate
Property Insights of Ergosinine methanesulfonate
The XLogP value of 1.2982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergosinine methanesulfonate. The TPSA of 181.0 Ų indicates high polarity, suggesting Ergosinine methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergosinine methanesulfonate 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 Ergosinine methanesulfonate?
The CAS number of Ergosinine methanesulfonate is 74137-67-0.
What is the molecular formula of Ergosinine methanesulfonate?
The molecular formula of Ergosinine methanesulfonate is C31H41N5O8S.
What is the molecular weight of Ergosinine methanesulfonate?
The molecular weight of Ergosinine methanesulfonate is 643.27 g/mol.
Where can I buy Ergosinine methanesulfonate?
You can request a quote for Ergosinine methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosinine methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ergosinine methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.