![3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide structure](/static/products/1728/17289-13-3.webp)
3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide
TL;DR: 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide (CAS 17289-13-3) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-yl-1-benzothiophene 1,1-dioxide
Also Known As: BAS 04456543, 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide, 3-pyrrolidin-1-yl-1-benzothiophene 1,1-dioxide, 1-(1,1-dioxido-1-benzothiophen-3-yl)pyrrolidine, 1-(1,1-dioxido-1-benzothien-3-yl)pyrrolidine
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 17289-13-3 |
|---|---|
| SMILES | C1CCN(C1)C2=CS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | BXAXDAGYMSTWSX-UHFFFAOYSA-N |
Product Overview
3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide (CAS 17289-13-3), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 3-pyrrolidin-1-yl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide
Property Insights of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 45.8 Ų, 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide 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 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide?
The CAS number of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide is 17289-13-3.
What is the molecular formula of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide?
The molecular formula of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide is C12H13NO2S.
What is the molecular weight of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide?
The molecular weight of 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide is 235.07 g/mol.
Where can I buy 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide?
You can request a quote for 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-yl)benzo[b]thiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.