地斯的明
TL;DR: 地斯的明 (CAS 17299-00-2) is a chemical compound with molecular formula C22H32N4O4+2 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地斯的明
(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate
Also Known As: Distigmine, Distigmine ion, Distigmine cation, Hexamarium, Ubretid
| Molecular Formula | C22H32N4O4+2 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 17299-00-2 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C |
| InChIKey | AHZBEVXBKNYXPU-UHFFFAOYSA-N |
Product Overview
地斯的明 (CAS 17299-00-2), with molecular formula C22H32N4O4+2 and molecular weight 416.24 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate.
Chemical Property Profile of 地斯的明
Property Insights of 地斯的明
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地斯的明. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 地斯的明. Following Lipinski's Rule of Five, Distigmine 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 Distigmine?
The CAS number of Distigmine is 17299-00-2.
What is the molecular formula of Distigmine?
The molecular formula of Distigmine is C22H32N4O4+2.
What is the molecular weight of Distigmine?
The molecular weight of Distigmine is 416.24 g/mol.
Where can I buy Distigmine?
You can request a quote for Distigmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Distigmine?
Yes, KEHONG BIO provides custom synthesis services for Distigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.