Eserine sulfate
TL;DR: Eserine sulfate (CAS 64-47-1) is a chemical compound with molecular formula C30H44N6O8S and molecular weight 648.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([(3aS,8bS)-3,4,8b-trimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate);sulfate
Also Known As: Eserine sulfate, Eserine sulphate, Physostigmine SO4, Physostigmine sulphate, Physostigmine hemisulfate
| Molecular Formula | C30H44N6O8S |
|---|---|
| Molecular Weight | 648.29 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 648.2941 |
| Heavy Atoms | 45 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 64-47-1 |
|---|---|
| SMILES | C[C@@]12CC[NH+]([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C[C@@]12CC[NH+]([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.[O-]S(=O)(=O)[O-] |
| InChIKey | YYBNDIVPHIWTPK-KYJQVDHRSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Eserine sulfate (CAS 64-47-1), with molecular formula C30H44N6O8S and molecular weight 648.29 g/mol. IUPAC: bis([(3aS,8bS)-3,4,8b-trimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate);sulfate.
Chemical Property Profile of Eserine sulfate
Property Insights of Eserine sulfate
The XLogP value of -0.62 indicates that Eserine sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Eserine sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eserine sulfate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eserine sulfate?
The CAS number of Eserine sulfate is 64-47-1.
What is the molecular formula of Eserine sulfate?
The molecular formula of Eserine sulfate is C30H44N6O8S.
What is the molecular weight of Eserine sulfate?
The molecular weight of Eserine sulfate is 648.29 g/mol.
Where can I buy Eserine sulfate?
You can request a quote for Eserine sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eserine sulfate?
Yes, KEHONG BIO provides custom synthesis services for Eserine sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.