Eptastigmine
TL;DR: Eptastigmine (CAS 101246-68-8) is a chemical compound with molecular formula C21H33N3O2 and molecular weight 359.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate
Also Known As: Eptastigmine, heptastigmine, Eptastigmina, Eptastigminum, Heptylphysostigmine
| Molecular Formula | C21H33N3O2 |
|---|---|
| Molecular Weight | 359.26 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.25726 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 101246-68-8 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C |
| InChIKey | RRGMXBQMCUKRLH-CTNGQTDRSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Eptastigmine (CAS 101246-68-8), with molecular formula C21H33N3O2 and molecular weight 359.26 g/mol. IUPAC: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate.
Chemical Property Profile of Eptastigmine
Property Insights of Eptastigmine
The XLogP value of 3.6 indicates that Eptastigmine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Eptastigmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eptastigmine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eptastigmine?
The CAS number of Eptastigmine is 101246-68-8.
What is the molecular formula of Eptastigmine?
The molecular formula of Eptastigmine is C21H33N3O2.
What is the molecular weight of Eptastigmine?
The molecular weight of Eptastigmine is 359.26 g/mol.
Where can I buy Eptastigmine?
You can request a quote for Eptastigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eptastigmine?
Yes, KEHONG BIO provides custom synthesis services for Eptastigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.