RefChem:318723
TL;DR: RefChem:318723 (CAS 73664-04-7) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-cyano-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]prop-1-enylidene]azanide
Also Known As: Ammonium, (2-(2,2-dicyano-1-hydroxyvinyloxy)ethyl)trimethyl-, hydroxide, inner salt, (2-(2,2-Dicyano-1-hydroxyvinyloxy)ethyl)trimethylammonium hydroxide, inner salt, 2,2-dicyano-1-[2-(trimethylammonio)ethoxy]ethenolate, 2,2-dicyano-1-[2-(trimethylazaniumyl)ethoxy]ethenolate, 2,2-Dicyano-1-[2-(trimethylazaniumyl)ethoxy]ethen-1-olate
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 73664-04-7 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C(=C=[N-])C#N |
| InChIKey | HQTBUIMHWAGVJW-UHFFFAOYSA-N |
Product Overview
RefChem:318723 (CAS 73664-04-7), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: [2-cyano-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]prop-1-enylidene]azanide.
Chemical Property Profile of RefChem:318723
Property Insights of RefChem:318723
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318723. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:318723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318723 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 RefChem:318723?
The CAS number of RefChem:318723 is 73664-04-7.
What is the molecular formula of RefChem:318723?
The molecular formula of RefChem:318723 is C9H13N3O2.
What is the molecular weight of RefChem:318723?
The molecular weight of RefChem:318723 is 195.10 g/mol.
Where can I buy RefChem:318723?
You can request a quote for RefChem:318723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318723?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.