Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate (CAS 64051-10-1) is a chemical compound with molecular formula C16H23IN2O2 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium iodide
Also Known As: Diallylcarbamic ester of 3-oxyphenyltrimethylammonium iodide, Carbamic acid, N,N-diallyl-, 3-(trimethylammonio)phenyl ester, iodide, Ammonium, (3-(N',N'-diallylcarbamoyloxy)phenyl)trimethyl-, iodide, Carbamic acid, N,N-diallyl-, 3-dimethylaminophenyl ester, methiodide, AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, IODIDE, DIALLYLCARBAMATE
| Molecular Formula | C16H23IN2O2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 0.06 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.08044 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 64051-10-1 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)N(CC=C)CC=C.[I-] |
| InChIKey | WHUQUIAZTMSOTA-UHFFFAOYSA-M |
Product Overview
Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate (CAS 64051-10-1), with molecular formula C16H23IN2O2 and molecular weight 402.08 g/mol. IUPAC: [3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium iodide.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate has 0 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, diallylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate is 64051-10-1.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate is C16H23IN2O2.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate is 402.08 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate 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, diallylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, diallylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.