Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate
TL;DR: Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate (CAS 64046-31-7) is a chemical compound with molecular formula C14H21BrN2O2 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium bromide
Also Known As: Carbamic acid, methyl-, 3-(allyldimethylammonio)-p-tolyl ester, bromide, Ammonium, ((2-methyl-5-methylcarbamoyloxy)phenyl)allyldimethyl-, bromide, Carbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester, allylbromide, AMMONIUM, ((5-HYDROXY-2-METHYL)PHENYL)ALLYLDIMETHYL-, BROMIDE, METHYLCARBAMATE, dimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium bromide
| Molecular Formula | C14H21BrN2O2 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.07864 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 64046-31-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)NC)[N+](C)(C)CC=C.[Br-] |
| InChIKey | DKUACOXWOPCTCZ-UHFFFAOYSA-N |
Product Overview
Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate (CAS 64046-31-7), with molecular formula C14H21BrN2O2 and molecular weight 328.08 g/mol. IUPAC: dimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium bromide.
Chemical Property Profile of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate
Property Insights of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate
The XLogP value of -0.53 indicates that Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, 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, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate?
The CAS number of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate is 64046-31-7.
What is the molecular formula of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate?
The molecular formula of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate is C14H21BrN2O2.
What is the molecular weight of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate?
The molecular weight of Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate is 328.08 g/mol.
Where can I buy Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate?
You can request a quote for Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.