1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
TL;DR: 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide (CAS 17532-09-1) is a chemical compound with molecular formula C17H24INOS2 and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide
Also Known As: 1,1-Di(thien-3-yl)-3-pyrrolidinyl-1-butanol methiodide, 1-BUTANOL, 1,1-DI(THIEN-3-YL)-3-PYRROLIDINO-, METHIODIDE, 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide, 1-[4-Hydroxy-4,4-di(thiophen-3-yl)butan-2-yl]-1-methylpyrrolidin-1-ium iodide, Pyrrolidinium, 1-(3-hydroxy-1-methyl-3,3-di-3-thienylpropyl)-1-methyl-, iodide
| Molecular Formula | C17H24INOS2 |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | 1.07 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.0344 |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 17532-09-1 |
|---|---|
| SMILES | CC(CC(C1=CSC=C1)(C2=CSC=C2)O)[N+]3(CCCC3)C.[I-] |
| InChIKey | KLLGEGRKUAZYSJ-UHFFFAOYSA-M |
Product Overview
1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide (CAS 17532-09-1), with molecular formula C17H24INOS2 and molecular weight 449.03 g/mol. IUPAC: 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide.
Chemical Property Profile of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
Property Insights of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
The XLogP value of 1.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide. Following Lipinski's Rule of Five, 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide has 1 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 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide?
The CAS number of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide is 17532-09-1.
What is the molecular formula of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide?
The molecular formula of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide is C17H24INOS2.
What is the molecular weight of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide?
The molecular weight of 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide is 449.03 g/mol.
Where can I buy 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide?
You can request a quote for 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.