(α-氰基苄基)三乙基溴化铵
TL;DR: (α-氰基苄基)三乙基溴化铵 (CAS 64049-73-6) is a chemical compound with molecular formula C14H21BrN2 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(α-氰基苄基)三乙基溴化铵
[cyano(phenyl)methyl]-triethylazanium bromide
Also Known As: (Phenylcyanomethyl)-triethylammonium bromide, AMMONIUM, (alpha-CYANOBENZYL)TRIETHYL-, BROMIDE, [cyano(phenyl)methyl]-triethylazanium bromide, N-[cyano(phenyl)methyl]-N,N-diethylethanaminium bromide, Benzenemethanaminium, .alpha.-cyano-N,N,N-triethyl-, bromide
| Molecular Formula | C14H21BrN2 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 0.13 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0888 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 64049-73-6 |
|---|---|
| SMILES | CC[N+](CC)(CC)C(C#N)C1=CC=CC=C1.[Br-] |
| InChIKey | KNXRWIKBUHJOCD-UHFFFAOYSA-M |
Product Overview
(α-氰基苄基)三乙基溴化铵 (CAS 64049-73-6), with molecular formula C14H21BrN2 and molecular weight 296.09 g/mol. IUPAC: [cyano(phenyl)methyl]-triethylazanium bromide.
Chemical Property Profile of (α-氰基苄基)三乙基溴化铵
Property Insights of (α-氰基苄基)三乙基溴化铵
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (α-氰基苄基)三乙基溴化铵. With a topological polar surface area (TPSA) of 23.8 Ų, (α-氰基苄基)三乙基溴化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (α-氰基苄基)三乙基溴化铵 has 0 hydrogen bond donor(s) and 2 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 (α-氰基苄基)三乙基溴化铵?
The CAS number of (α-氰基苄基)三乙基溴化铵 is 64049-73-6.
What is the molecular formula of (α-氰基苄基)三乙基溴化铵?
The molecular formula of (α-氰基苄基)三乙基溴化铵 is C14H21BrN2.
What is the molecular weight of (α-氰基苄基)三乙基溴化铵?
The molecular weight of (α-氰基苄基)三乙基溴化铵 is 296.09 g/mol.
Where can I buy (α-氰基苄基)三乙基溴化铵?
You can request a quote for (α-氰基苄基)三乙基溴化铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (α-氰基苄基)三乙基溴化铵?
Yes, KEHONG BIO provides custom synthesis services for (α-氰基苄基)三乙基溴化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.