Ganstigmine
TL;DR: Ganstigmine (CAS 457075-21-7) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-(2-ethylphenyl)carbamate
Also Known As: GANSTIGMINE, Ganstigmina, Ganstigmine [INN], ganstigminum, 2-ethylphenylgeneserine oxazine
| Molecular Formula | C22H27N3O3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | 4.1606 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.20523 |
| Heavy Atoms | 28 |
| Complexity | 900.34576 |
Chemical Identifiers
| CAS Number | 457075-21-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN(O4)C)C)C |
Product Overview
Ganstigmine (CAS 457075-21-7), with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol. IUPAC: [(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-(2-ethylphenyl)carbamate.
Chemical Property Profile of Ganstigmine
Property Insights of Ganstigmine
The XLogP value of 4.1606 indicates that Ganstigmine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, Ganstigmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ganstigmine has 1 hydrogen bond donor(s) and 5 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 Ganstigmine?
The CAS number of Ganstigmine is 457075-21-7.
What is the molecular formula of Ganstigmine?
The molecular formula of Ganstigmine is C22H27N3O3.
What is the molecular weight of Ganstigmine?
The molecular weight of Ganstigmine is 381.21 g/mol.
Where can I buy Ganstigmine?
You can request a quote for Ganstigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ganstigmine?
Yes, KEHONG BIO provides custom synthesis services for Ganstigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.