1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
TL;DR: 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 7349-49-7) is a chemical compound with molecular formula C14H16ClNOS and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ium-1-ylethanone chloride
Also Known As: Benzo(b)thien-3-yl pyrrolidinomethyl ketone hydrochloride, 3-(Pyrrolidinoacetyl)benzo(b)thiophene hydrochloride, Benzo(b)thiophene, 3-(pyrrolidinoacetyl)-, hydrochloride, 1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ium-1-ylethanone chloride, KETONE, BENZO(b)THIEN-3-YL PYRROLIDINOMETHYL, HYDROCHLORIDE
| Molecular Formula | C14H16ClNOS |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | -1.23 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06412 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 7349-49-7 |
|---|---|
| SMILES | C1CC[NH+](C1)CC(=O)C2=CSC3=CC=CC=C32.[Cl-] |
| InChIKey | KUPRXJGWLKSRGU-UHFFFAOYSA-N |
Product Overview
1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 7349-49-7), with molecular formula C14H16ClNOS and molecular weight 281.06 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ium-1-ylethanone chloride.
Chemical Property Profile of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
Property Insights of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
The XLogP value of -1.23 indicates that 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) has 1 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 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)?
The CAS number of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) is 7349-49-7.
What is the molecular formula of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular formula of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) is C14H16ClNOS.
What is the molecular weight of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular weight of 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) is 281.06 g/mol.
Where can I buy 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)?
You can request a quote for 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.