Eptastigmine tartrate
TL;DR: Eptastigmine tartrate (CAS 121652-76-4) is a chemical compound with molecular formula C25H39N3O8 and molecular weight 509.27 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;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: Eptastigmine tartrate, Heptylstigmine tartrate, Physostigmine heptyl, MF 201, EPTASTIGMINE TARTRATE [MI]
| Molecular Formula | C25H39N3O8 |
|---|---|
| Molecular Weight | 509.27 g/mol |
| LogP | 1.9919 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.2737 |
| Heavy Atoms | 36 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 121652-76-4 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | KSVOUNWEPRJFHX-BNBZVHDBSA-N |
Product Overview
Eptastigmine tartrate (CAS 121652-76-4), with molecular formula C25H39N3O8 and molecular weight 509.27 g/mol. IUPAC: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Eptastigmine tartrate
Property Insights of Eptastigmine tartrate
The XLogP value of 1.9919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eptastigmine tartrate. The TPSA of 160.0 Ų indicates high polarity, suggesting Eptastigmine tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eptastigmine tartrate has 5 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 Eptastigmine tartrate?
The CAS number of Eptastigmine tartrate is 121652-76-4.
What is the molecular formula of Eptastigmine tartrate?
The molecular formula of Eptastigmine tartrate is C25H39N3O8.
What is the molecular weight of Eptastigmine tartrate?
The molecular weight of Eptastigmine tartrate is 509.27 g/mol.
Where can I buy Eptastigmine tartrate?
You can request a quote for Eptastigmine tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eptastigmine tartrate?
Yes, KEHONG BIO provides custom synthesis services for Eptastigmine tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.