Methacyne
TL;DR: Methacyne (CAS 95548-36-0) is a chemical compound with molecular formula C29H42IN2O4- and molecular weight 609.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-[2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]azanium iodide
Also Known As: Methacyne, 1-Piperidinyloxy, 4-(2-((2-((hydroxydiphenylacetyl)oxy)ethyl)dimethylammonio)ethyl)-2,2,6,6-tetramethyl-, iodide, 1-Piperidinyloxy,4-(2-((2-((hydroxydiphenylacetyl)oxy)ethyl)dimethylammonio)ethyl)-2,2,6,6-tetramethyl-,iodide, 2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl-dimethyl-[2-(2,2,6,6-tetramethyl-1-oxido-4-piperidyl)ethyl]azanium iodide, 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-[2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]azanium iodide
| Molecular Formula | C29H42IN2O4- |
|---|---|
| Molecular Weight | 609.22 g/mol |
| LogP | 1.7032 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 609.21893 |
| Heavy Atoms | 36 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 95548-36-0 |
|---|---|
| SMILES | CC1(CC(CC(N1[O-])(C)C)CC[N+](C)(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-] |
| InChIKey | HTGOVEPBTLRBKO-UHFFFAOYSA-M |
Product Overview
Methacyne (CAS 95548-36-0), with molecular formula C29H42IN2O4- and molecular weight 609.22 g/mol. IUPAC: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-[2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]azanium iodide.
Chemical Property Profile of Methacyne
Property Insights of Methacyne
The XLogP value of 1.7032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methacyne. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methacyne. Following Lipinski's Rule of Five, Methacyne has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methacyne?
The CAS number of Methacyne is 95548-36-0.
What is the molecular formula of Methacyne?
The molecular formula of Methacyne is C29H42IN2O4-.
What is the molecular weight of Methacyne?
The molecular weight of Methacyne is 609.22 g/mol.
Where can I buy Methacyne?
You can request a quote for Methacyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methacyne?
Yes, KEHONG BIO provides custom synthesis services for Methacyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.