Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide
TL;DR: Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide (CAS 56492-07-0) is a chemical compound with molecular formula C23H39BrN2O3S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl-methyl-[3-[(4-nitrobenzoyl)amino]propyl]sulfanium bromide
Also Known As: Dodecylmethyl(3-(p-nitrobenzamido)propyl)sulfonium bromide, 3-(p-Nitrobenzamido)propyl-methyl-dodecyl sulfonium bromide, Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide, dodecyl-methyl-[3-[(4-nitrobenzoyl)amino]propyl]sulfanium bromide, RefChem:382623
| Molecular Formula | C23H39BrN2O3S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 2.8877 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 502.1865 |
| Heavy Atoms | 30 |
| Complexity | 584.31586 |
Chemical Identifiers
| CAS Number | 56492-07-0 |
|---|---|
| SMILES | CCCCCCCCCCCC[S+](C)CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-] |
Product Overview
Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide (CAS 56492-07-0), with molecular formula C23H39BrN2O3S and molecular weight 502.19 g/mol. IUPAC: dodecyl-methyl-[3-[(4-nitrobenzoyl)amino]propyl]sulfanium bromide.
Chemical Property Profile of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide
Property Insights of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide
The XLogP value of 2.8877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide. Following Lipinski's Rule of Five, Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide?
The CAS number of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide is 56492-07-0.
What is the molecular formula of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide?
The molecular formula of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide is C23H39BrN2O3S.
What is the molecular weight of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide?
The molecular weight of Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide is 502.19 g/mol.
Where can I buy Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide?
You can request a quote for Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Sulfonium, dodecylmethyl(3-(p-nitrobenzamido)propyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.