3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride
TL;DR: 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride (CAS 100482-69-7) is a chemical compound with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylbut-3-en-2-one chloride
Also Known As: 1-Phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-3-buten-2-one hydrochloride, 3-BUTEN-2-ONE, 1-PHENYL-4-(1-PYRROLIDINYL)-1-(2-THIENYL)-, HYDROCHLORIDE, (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylbut-3-en-2-one chloride, RefChem:1067456
| Molecular Formula | C18H20ClNOS |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | -0.3545 |
| Topological Polar Surface Area | 21.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0954 |
| Heavy Atoms | 22 |
| Complexity | 603.2821 |
Chemical Identifiers
| CAS Number | 100482-69-7 |
|---|---|
| SMILES | C1CC[NH+](C1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3.[Cl-] |
Product Overview
3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride (CAS 100482-69-7), with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol. IUPAC: (E)-1-phenyl-4-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylbut-3-en-2-one chloride.
Chemical Property Profile of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride
Property Insights of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride
The XLogP value of -0.3545 indicates that 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.51 Ų, 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride 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 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride?
The CAS number of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride is 100482-69-7.
What is the molecular formula of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride?
The molecular formula of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride is C18H20ClNOS.
What is the molecular weight of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride?
The molecular weight of 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride is 333.10 g/mol.
Where can I buy 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride?
You can request a quote for 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.