Quilostigmine
TL;DR: Quilostigmine (CAS 139314-01-5) is a chemical compound with molecular formula C23H27N3O2 and molecular weight 377.21 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] 3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: Quilostigmine, Quilostigmina, quilostigminum, Quilostigmine [USAN], Quilostigmine [USAN:INN]
| Molecular Formula | C23H27N3O2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.21033 |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 139314-01-5 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4)C)C |
| InChIKey | IIFRKALDATVOJE-GGAORHGYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quilostigmine (CAS 139314-01-5), with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol. IUPAC: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of Quilostigmine
Property Insights of Quilostigmine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quilostigmine. With a topological polar surface area (TPSA) of 36.0 Ų, Quilostigmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quilostigmine has 0 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 Quilostigmine?
The CAS number of Quilostigmine is 139314-01-5.
What is the molecular formula of Quilostigmine?
The molecular formula of Quilostigmine is C23H27N3O2.
What is the molecular weight of Quilostigmine?
The molecular weight of Quilostigmine is 377.21 g/mol.
Where can I buy Quilostigmine?
You can request a quote for Quilostigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quilostigmine?
Yes, KEHONG BIO provides custom synthesis services for Quilostigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.