![methyl-diethyl-[carbamoylmethyl]azaniumbromide structure](/static/products/7915/79154-29-3.webp)
methyl-diethyl-[carbamoylmethyl]azaniumbromide
TL;DR: methyl-diethyl-[carbamoylmethyl]azaniumbromide (CAS 79154-29-3) is a chemical compound with molecular formula C22H30BrClN2O and molecular weight 452.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium bromide
Also Known As: methyl-diethyl-[carbamoylmethyl]azaniumbromide, Benzenemethanaminium, 2-chloro-N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-, bromide, (2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium bromide, (2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium,bromide, (2-chlorophenyl)methyl-diethyl-[2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium bromide
| Molecular Formula | C22H30BrClN2O |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 2.26456 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.123 |
| Heavy Atoms | 27 |
| Complexity | 764.6274 |
Chemical Identifiers
| CAS Number | 79154-29-3 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1Cl)CC(=O)NC2=C(C=C(C=C2C)C)C.[Br-] |
Product Overview
methyl-diethyl-[carbamoylmethyl]azaniumbromide (CAS 79154-29-3), with molecular formula C22H30BrClN2O and molecular weight 452.12 g/mol. IUPAC: (2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium bromide.
Chemical Property Profile of methyl-diethyl-[carbamoylmethyl]azaniumbromide
Property Insights of methyl-diethyl-[carbamoylmethyl]azaniumbromide
The XLogP value of 2.26456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl-diethyl-[carbamoylmethyl]azaniumbromide. With a topological polar surface area (TPSA) of 29.1 Ų, methyl-diethyl-[carbamoylmethyl]azaniumbromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl-diethyl-[carbamoylmethyl]azaniumbromide has 1 hydrogen bond donor(s) and 1 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 methyl-diethyl-[carbamoylmethyl]azaniumbromide?
The CAS number of methyl-diethyl-[carbamoylmethyl]azaniumbromide is 79154-29-3.
What is the molecular formula of methyl-diethyl-[carbamoylmethyl]azaniumbromide?
The molecular formula of methyl-diethyl-[carbamoylmethyl]azaniumbromide is C22H30BrClN2O.
What is the molecular weight of methyl-diethyl-[carbamoylmethyl]azaniumbromide?
The molecular weight of methyl-diethyl-[carbamoylmethyl]azaniumbromide is 452.12 g/mol.
Where can I buy methyl-diethyl-[carbamoylmethyl]azaniumbromide?
You can request a quote for methyl-diethyl-[carbamoylmethyl]azaniumbromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-diethyl-[carbamoylmethyl]azaniumbromide?
Yes, KEHONG BIO provides custom synthesis services for methyl-diethyl-[carbamoylmethyl]azaniumbromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.