毒扁豆碱硫酸盐
TL;DR: 毒扁豆碱硫酸盐 (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.
毒扁豆碱硫酸盐
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
毒扁豆碱硫酸盐 (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 毒扁豆碱硫酸盐
Property Insights of 毒扁豆碱硫酸盐
The XLogP value of -0.62 indicates that 毒扁豆碱硫酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 毒扁豆碱硫酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 毒扁豆碱硫酸盐 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 毒扁豆碱硫酸盐?
The CAS number of 毒扁豆碱硫酸盐 is 64-47-1.
What is the molecular formula of 毒扁豆碱硫酸盐?
The molecular formula of 毒扁豆碱硫酸盐 is C30H44N6O8S.
What is the molecular weight of 毒扁豆碱硫酸盐?
The molecular weight of 毒扁豆碱硫酸盐 is 648.29 g/mol.
Where can I buy 毒扁豆碱硫酸盐?
You can request a quote for 毒扁豆碱硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毒扁豆碱硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 毒扁豆碱硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.