Terestigmine
TL;DR: Terestigmine (CAS 147650-57-5) is a chemical compound with molecular formula C21H33N3O3 and molecular weight 375.25 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-heptylcarbamate
Also Known As: Terestigmine, terestigmina, terestigminum, Terestigmine [INN], TERERSTIGMINE
| Molecular Formula | C21H33N3O3 |
|---|---|
| Molecular Weight | 375.25 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.2522 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 147650-57-5 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN(O3)C)C)C |
| InChIKey | AFVACNVFXZVAEU-FPOVZHCZSA-N |
Product Overview
Terestigmine (CAS 147650-57-5), with molecular formula C21H33N3O3 and molecular weight 375.25 g/mol. IUPAC: [(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate.
Chemical Property Profile of Terestigmine
Property Insights of Terestigmine
The XLogP value of 3.7 indicates that Terestigmine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Terestigmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terestigmine 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 Terestigmine?
The CAS number of Terestigmine is 147650-57-5.
What is the molecular formula of Terestigmine?
The molecular formula of Terestigmine is C21H33N3O3.
What is the molecular weight of Terestigmine?
The molecular weight of Terestigmine is 375.25 g/mol.
Where can I buy Terestigmine?
You can request a quote for Terestigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terestigmine?
Yes, KEHONG BIO provides custom synthesis services for Terestigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.