Ergosine methanesulfonate
TL;DR: Ergosine methanesulfonate (CAS 6952-07-4) 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.
(6aR,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: Ergosine methanesulfonate, Pyrethrol P, Ergosine monomethanesulfonate, Ergosinine methanesulfonate, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt)
| 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 | 6952-07-4 |
|---|---|
| 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-NRUQAJJTSA-N |
Product Overview
Ergosine methanesulfonate (CAS 6952-07-4), with molecular formula C31H41N5O8S and molecular weight 643.27 g/mol. IUPAC: (6aR,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 Ergosine methanesulfonate
Property Insights of Ergosine methanesulfonate
The XLogP value of 1.2982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergosine methanesulfonate. The TPSA of 181.0 Ų indicates high polarity, suggesting Ergosine methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergosine 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 Ergosine methanesulfonate?
The CAS number of Ergosine methanesulfonate is 6952-07-4.
What is the molecular formula of Ergosine methanesulfonate?
The molecular formula of Ergosine methanesulfonate is C31H41N5O8S.
What is the molecular weight of Ergosine methanesulfonate?
The molecular weight of Ergosine methanesulfonate is 643.27 g/mol.
Where can I buy Ergosine methanesulfonate?
You can request a quote for Ergosine methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosine methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ergosine methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.