2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt
TL;DR: 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt (CAS 70155-90-7) is a chemical compound with molecular formula C10H19NO3S and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[diethyl(prop-2-ynyl)azaniumyl]propane-1-sulfonate
Also Known As: DEPS, 3H-Imidazo[4,5-c]pyridine, 3-[diethyl(prop-2-ynyl)azaniumyl]propane-1-sulfonate, J3.368.050C, 3-(diethylprop-2-ynylamino)propanesulfonic acid
| Molecular Formula | C10H19NO3S |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.4115 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.10857 |
| Heavy Atoms | 15 |
| Complexity | 312.04944 |
Chemical Identifiers
| CAS Number | 70155-90-7 |
|---|---|
| SMILES | CC[N+](CC)(CCCS(=O)(=O)[O-])CC#C |
Product Overview
2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt (CAS 70155-90-7), with molecular formula C10H19NO3S and molecular weight 233.11 g/mol. IUPAC: 3-[diethyl(prop-2-ynyl)azaniumyl]propane-1-sulfonate.
Chemical Property Profile of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt
Property Insights of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt
The XLogP value of 0.4115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt. With a topological polar surface area (TPSA) of 57.2 Ų, 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt 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 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt?
The CAS number of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt is 70155-90-7.
What is the molecular formula of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt?
The molecular formula of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt is C10H19NO3S.
What is the molecular weight of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt?
The molecular weight of 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt is 233.11 g/mol.
Where can I buy 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt?
You can request a quote for 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 2-propyn-1-aminium, n,n-diethyl-n-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.