Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate
TL;DR: Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate (CAS 64046-23-7) is a chemical compound with molecular formula C17H29IN2O2 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hexyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: Carbamic acid, methyl-, (3-hexyl-4-trimethylammonio)phenyl ester, iodide, Ammonium, ((3-hexyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodide, AMMONIUM, ((4-HYDROXY-3-HEXYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE, Carbamic acid, N-methyl-, 3-hexyl-4-dimethylaminophenyl ester, methiodide, [3-hexyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
| Molecular Formula | C17H29IN2O2 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 0.73 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.12738 |
| Heavy Atoms | 22 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 64046-23-7 |
|---|---|
| SMILES | CCCCCCC1=C(C=CC(=C1)[N+](C)(C)C)OC(=O)NC.[I-] |
| InChIKey | CJENKLIAQYOEJG-UHFFFAOYSA-N |
Product Overview
Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate (CAS 64046-23-7), with molecular formula C17H29IN2O2 and molecular weight 420.13 g/mol. IUPAC: [3-hexyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide.
Chemical Property Profile of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate
Property Insights of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate
The XLogP value of 0.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate has 1 hydrogen bond donor(s) and 3 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 Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate?
The CAS number of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate is 64046-23-7.
What is the molecular formula of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate?
The molecular formula of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate is C17H29IN2O2.
What is the molecular weight of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate?
The molecular weight of Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate is 420.13 g/mol.
Where can I buy Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate?
You can request a quote for Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.