Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride (CAS 97873-31-9) is a chemical compound with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidin-1-ylmethyl)-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: N-Pyrrolidinomethyl-3 thiophtalide chlorhydrate, N-Pyrrolidinomethyl-3 thiophtalide chlorhydrate [French], 3-(1-Pyrrolidinylmethyl)benzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride, 9- -8-thiabicyclo[4.3.0]nona-1,3,5-trien-7-onehydrochloride
| Molecular Formula | C13H16ClNOS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.1323 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.06412 |
| Heavy Atoms | 17 |
| Complexity | 417.6354 |
Chemical Identifiers
| CAS Number | 97873-31-9 |
|---|---|
| SMILES | C1CCN(C1)CC2C3=CC=CC=C3C(=O)S2.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride (CAS 97873-31-9), with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol. IUPAC: 3-(pyrrolidin-1-ylmethyl)-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride
The XLogP value of 3.1323 indicates that Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride 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 Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride is 97873-31-9.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride is C13H16ClNOS.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride is 269.06 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-(1-pyrrolidinylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.