Physostigmine hydrochloride
TL;DR: Physostigmine hydrochloride (CAS 6091-12-9) is a chemical compound with molecular formula C15H22ClN3O2 and molecular weight 311.14 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-methylcarbamate;hydrochloride
Also Known As: Physostigmine HCl, Physostigmine hydrochloride, ESERINE HYDROCHLORIDE, ESERINEHYDROCHLORIDE, (3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C15H22ClN3O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.14005 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 6091-12-9 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.Cl |
| InChIKey | REPUEGIPTSPLQL-PBCQUBLHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Physostigmine hydrochloride (CAS 6091-12-9), with molecular formula C15H22ClN3O2 and molecular weight 311.14 g/mol. IUPAC: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;hydrochloride.
Chemical Property Profile of Physostigmine hydrochloride
Property Insights of Physostigmine hydrochloride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Physostigmine hydrochloride. With a topological polar surface area (TPSA) of 44.8 Ų, Physostigmine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Physostigmine hydrochloride has 2 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 Physostigmine hydrochloride?
The CAS number of Physostigmine hydrochloride is 6091-12-9.
What is the molecular formula of Physostigmine hydrochloride?
The molecular formula of Physostigmine hydrochloride is C15H22ClN3O2.
What is the molecular weight of Physostigmine hydrochloride?
The molecular weight of Physostigmine hydrochloride is 311.14 g/mol.
Where can I buy Physostigmine hydrochloride?
You can request a quote for Physostigmine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Physostigmine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Physostigmine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.