Benzyldimethyl(3-sulfopropyl)azanium
TL;DR: Benzyldimethyl(3-sulfopropyl)azanium (CAS 81239-45-4) is a chemical compound with molecular formula C12H20NO3S+ and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-(3-sulfopropyl)azanium
Also Known As: benzyldimethyl(3-sulfopropyl)azanium, benzyl-dimethyl-(3-sulfopropyl)azanium, N-Benzyl-N,N-dimethyl-3-sulfopropan-1-aminium, N,N-Dimethyl-N-(3-sulfopropyl)benzenemethanaminium, 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
| Molecular Formula | C12H20NO3S+ |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 1.5409 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.1164 |
| Heavy Atoms | 17 |
| Complexity | 440.07837 |
Chemical Identifiers
| CAS Number | 81239-45-4 |
|---|---|
| SMILES | C[N+](C)(CCCS(=O)(=O)O)CC1=CC=CC=C1 |
Product Overview
Benzyldimethyl(3-sulfopropyl)azanium (CAS 81239-45-4), with molecular formula C12H20NO3S+ and molecular weight 258.12 g/mol. IUPAC: benzyl-dimethyl-(3-sulfopropyl)azanium.
Chemical Property Profile of Benzyldimethyl(3-sulfopropyl)azanium
Property Insights of Benzyldimethyl(3-sulfopropyl)azanium
The XLogP value of 1.5409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyldimethyl(3-sulfopropyl)azanium. With a topological polar surface area (TPSA) of 54.37 Ų, Benzyldimethyl(3-sulfopropyl)azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldimethyl(3-sulfopropyl)azanium has 1 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 Benzyldimethyl(3-sulfopropyl)azanium?
The CAS number of Benzyldimethyl(3-sulfopropyl)azanium is 81239-45-4.
What is the molecular formula of Benzyldimethyl(3-sulfopropyl)azanium?
The molecular formula of Benzyldimethyl(3-sulfopropyl)azanium is C12H20NO3S+.
What is the molecular weight of Benzyldimethyl(3-sulfopropyl)azanium?
The molecular weight of Benzyldimethyl(3-sulfopropyl)azanium is 258.12 g/mol.
Where can I buy Benzyldimethyl(3-sulfopropyl)azanium?
You can request a quote for Benzyldimethyl(3-sulfopropyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldimethyl(3-sulfopropyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for Benzyldimethyl(3-sulfopropyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.