RefChem:90156
TL;DR: RefChem:90156 (CAS 70942-38-0) is a chemical compound with molecular formula C16H26N2O3S and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate
Also Known As: 2H-Pyrrolium, 1-ethyl-3,4-dihydro-5-[3-[1-(3-sulfopropyl)-2-pyrrolidinylidene]-1-propenyl]-, inner salt, 2H-Pyrrolium, 1-ethyl-3,4-dihydro-5-(3-(1-(3-sulfopropyl)-2-pyrrolidinylidene)-1-propen-1-yl)-, inner salt, 2H-Pyrrolium, 1-ethyl-3,4-dihydro-5-(3-(1-(3-sulfopropyl)-2-pyrrolidinylidene)-1-propenyl)-, inner salt, 3,4-Dihydro-5-(3-(1-ethylpyrrolidin-2-ylidene)-1-propenyl)-1-(3-sulfopropyl)-2H-pyrrolium hydroxide, inner salt, 1-ethyl-3,4-dihydro-5-[3-[1-(3-sulfonatopropyl)pyrrolidin-2-ylidene]-1-propenyl]-2h-pyrrolium inner salt
| Molecular Formula | C16H26N2O3S |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1664 |
| Heavy Atoms | 22 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 70942-38-0 |
|---|---|
| SMILES | CCN1CCCC1=CC=CC2=[N+](CCC2)CCCS(=O)(=O)[O-] |
| InChIKey | QHINHTDKDVCVOO-UHFFFAOYSA-N |
Product Overview
RefChem:90156 (CAS 70942-38-0), with molecular formula C16H26N2O3S and molecular weight 326.17 g/mol. IUPAC: 3-[5-[3-(1-ethylpyrrolidin-2-ylidene)prop-1-enyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:90156
Property Insights of RefChem:90156
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:90156. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:90156. Following Lipinski's Rule of Five, RefChem:90156 has 0 hydrogen bond donor(s) and 4 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 RefChem:90156?
The CAS number of RefChem:90156 is 70942-38-0.
What is the molecular formula of RefChem:90156?
The molecular formula of RefChem:90156 is C16H26N2O3S.
What is the molecular weight of RefChem:90156?
The molecular weight of RefChem:90156 is 326.17 g/mol.
Where can I buy RefChem:90156?
You can request a quote for RefChem:90156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90156?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.