Physostigmine, monopicrate
TL;DR: Physostigmine, monopicrate (CAS 6091-18-5) is a chemical compound with molecular formula C41H43Cl3N4O5 and molecular weight 776.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
Also Known As: Physostigmine, monopicrate, DIOX2_011112, 2,2,2-Trichloro-N-[(4'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-2-yl)methyl]acetamide, 2,2,2-trichloro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide, Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C41H43Cl3N4O5 |
|---|---|
| Molecular Weight | 776.23 g/mol |
| LogP | 7.0522 |
| Topological Polar Surface Area | 103.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 776.2299 |
| Heavy Atoms | 53 |
| Complexity | 1882.5238 |
Chemical Identifiers
| CAS Number | 6091-18-5 |
|---|---|
| SMILES | CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7 |
Product Overview
Physostigmine, monopicrate (CAS 6091-18-5), with molecular formula C41H43Cl3N4O5 and molecular weight 776.23 g/mol. IUPAC: 2,2,2-trichloro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide.
Chemical Property Profile of Physostigmine, monopicrate
Property Insights of Physostigmine, monopicrate
The XLogP value of 7.0522 indicates that Physostigmine, monopicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Physostigmine, monopicrate. Following Lipinski's Rule of Five, Physostigmine, monopicrate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Physostigmine, monopicrate?
The CAS number of Physostigmine, monopicrate is 6091-18-5.
What is the molecular formula of Physostigmine, monopicrate?
The molecular formula of Physostigmine, monopicrate is C41H43Cl3N4O5.
What is the molecular weight of Physostigmine, monopicrate?
The molecular weight of Physostigmine, monopicrate is 776.23 g/mol.
Where can I buy Physostigmine, monopicrate?
You can request a quote for Physostigmine, monopicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Physostigmine, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for Physostigmine, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.