![3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole structure](/static/products/4778/477871-58-2.webp)
3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole
TL;DR: 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole (CAS 477871-58-2) is a chemical compound with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-3,3a,4,6-tetrahydro-2H-[2]benzothiepino[5,4-c]pyrazole
Also Known As: 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole, 1R-0661, 3-thiophen-2-yl-3,3a,4,6-tetrahydro-2H-[2]benzothiepino[5,4-c]pyrazole, 5-(thiophen-2-yl)-8-thia-3,4-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2,11,13-tetraene, 5-(thiophen-2-yl)-8-thia-3,4-diazatricyclo[8.4.0.0(2),?]tetradeca-1(10),2,11,13-tetraene
| Molecular Formula | C15H14N2S2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.6597 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.05984 |
| Heavy Atoms | 19 |
| Complexity | 618.83563 |
Chemical Identifiers
| CAS Number | 477871-58-2 |
|---|---|
| SMILES | C1C2C(NN=C2C3=CC=CC=C3CS1)C4=CC=CS4 |
Product Overview
3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole (CAS 477871-58-2), with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol. IUPAC: 3-thiophen-2-yl-3,3a,4,6-tetrahydro-2H-[2]benzothiepino[5,4-c]pyrazole.
Chemical Property Profile of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole
Property Insights of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole
The XLogP value of 3.6597 indicates that 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole 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 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole?
The CAS number of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole is 477871-58-2.
What is the molecular formula of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole?
The molecular formula of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole is C15H14N2S2.
What is the molecular weight of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole?
The molecular weight of 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole is 286.06 g/mol.
Where can I buy 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole?
You can request a quote for 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-thienyl)-2,3a,4,6-tetrahydro-3H-[2]benzothiepino[5,4-c]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.