Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate (CAS 64051-08-7) is a chemical compound with molecular formula C17H21IN2O2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: T-1125, Methiodide of N-benzylurethane of 3-dimethylaminophenol, Ammonium, (3-(benzylcarbamoyloxy)phenyl)trimethyl-, iodide, [3-(benzylcarbamoyloxy)phenyl]-trimethylazanium iodide, Carbamic acid, benzyl-, m-(trimethylammonio)phenyl ester, iodide
| Molecular Formula | C17H21IN2O2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0648 |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 64051-08-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2.[I-] |
| InChIKey | JEVBAXFLZYJPGN-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate (CAS 64051-08-7), with molecular formula C17H21IN2O2 and molecular weight 412.06 g/mol. IUPAC: [3-(benzylcarbamoyloxy)phenyl]-trimethylazanium iodide.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate 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, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate is 64051-08-7.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate is C17H21IN2O2.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate is 412.06 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.