RefChem:318615
TL;DR: RefChem:318615 (CAS 64046-28-2) is a chemical compound with molecular formula C16H28IN3O2 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[N-methyl-4-(methylcarbamoyloxy)anilino]ethyl]azanium iodide
Also Known As: T-1779, Ammonium, ((2-(4-hydroxy-N-methyl)anilino)ethyl)diethylmethyl-, iodide, methylcarbamate, Carbamic acid, N-methyl-, 4-(methyl(beta-diethylaminoethyl)amino)phenyl ester, monomethiodide, Ammonium, ((2-(4-hydroxy-N-methyl)phenylamino)ethyl)diethylmethyl-, iodide, methylcarbamate, DIETHYL-METHYL-[2-[N-METHYL-4-(METHYLCARBAMOYLOXY)ANILINO]ETHYL]AZANIUMIODIDE
| Molecular Formula | C16H28IN3O2 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | -0.67 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.12262 |
| Heavy Atoms | 22 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 64046-28-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN(C)C1=CC=C(C=C1)OC(=O)NC.[I-] |
| InChIKey | GUHJPVIVQRNTQW-UHFFFAOYSA-N |
Product Overview
RefChem:318615 (CAS 64046-28-2), with molecular formula C16H28IN3O2 and molecular weight 421.12 g/mol. IUPAC: diethyl-methyl-[2-[N-methyl-4-(methylcarbamoyloxy)anilino]ethyl]azanium iodide.
Chemical Property Profile of RefChem:318615
Property Insights of RefChem:318615
The XLogP value of -0.67 indicates that RefChem:318615 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, RefChem:318615 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318615 has 1 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:318615?
The CAS number of RefChem:318615 is 64046-28-2.
What is the molecular formula of RefChem:318615?
The molecular formula of RefChem:318615 is C16H28IN3O2.
What is the molecular weight of RefChem:318615?
The molecular weight of RefChem:318615 is 421.12 g/mol.
Where can I buy RefChem:318615?
You can request a quote for RefChem:318615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318615?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.