![3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid structure](/static/products/7015/70155-92-9.webp)
3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid
TL;DR: 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid (CAS 70155-92-9) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate
Also Known As: 3-[diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid, 2-Propyn-1-aminium, N,N-diethyl-3-phenyl-N-(3-sulfopropyl)-, inner salt, 3-(diethyl-(3-phenylprop-2-ynyl)ammonio)propane-1-sulfonate, 3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate, 3-[Diethyl(3-phenylprop-2-yn-1-yl)azaniumyl]propane-1-sulfonate
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 580.94324 |
Chemical Identifiers
| CAS Number | 70155-92-9 |
|---|---|
| SMILES | CC[N+](CC)(CCCS(=O)(=O)[O-])CC#CC1=CC=CC=C1 |
Product Overview
3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid (CAS 70155-92-9), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: 3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate.
Chemical Property Profile of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid
Property Insights of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid. With a topological polar surface area (TPSA) of 57.2 Ų, 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid has 0 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 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid?
The CAS number of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid is 70155-92-9.
What is the molecular formula of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid?
The molecular formula of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid is C16H23NO3S.
What is the molecular weight of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid?
The molecular weight of 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid is 309.14 g/mol.
Where can I buy 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid?
You can request a quote for 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Diethyl(3-phenylprop-2-ynyl)amino]propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.