Etamiphyllin methiodide
TL;DR: Etamiphyllin methiodide (CAS 35206-03-2) is a chemical compound with molecular formula C14H24IN5O2 and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-diethyl-methylazanium iodide
Also Known As: Etamiphyllin methiodide, Silylselenoacetat, SIMESPHYLLINE, NIOSH/BP8140700, Iodomethylate de diethylaminoethyltheophylline
| Molecular Formula | C14H24IN5O2 |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | -3.08 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.09747 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 35206-03-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-] |
| InChIKey | ZRNCURVARUWAMN-UHFFFAOYSA-M |
Product Overview
Etamiphyllin methiodide (CAS 35206-03-2), with molecular formula C14H24IN5O2 and molecular weight 421.10 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-diethyl-methylazanium iodide.
Chemical Property Profile of Etamiphyllin methiodide
Property Insights of Etamiphyllin methiodide
The XLogP value of -3.08 indicates that Etamiphyllin methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Etamiphyllin methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etamiphyllin methiodide 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 Etamiphyllin methiodide?
The CAS number of Etamiphyllin methiodide is 35206-03-2.
What is the molecular formula of Etamiphyllin methiodide?
The molecular formula of Etamiphyllin methiodide is C14H24IN5O2.
What is the molecular weight of Etamiphyllin methiodide?
The molecular weight of Etamiphyllin methiodide is 421.10 g/mol.
Where can I buy Etamiphyllin methiodide?
You can request a quote for Etamiphyllin methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etamiphyllin methiodide?
Yes, KEHONG BIO provides custom synthesis services for Etamiphyllin methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.