![5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile structure](/static/products/7288/728882-86-8.webp)
5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile
TL;DR: 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 728882-86-8) is a chemical compound with molecular formula C14H14N2S and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Also Known As: 2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile, A3887/0165269, 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, 2-pyrrolyl-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carbonitrile
| Molecular Formula | C14H14N2S |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.67938 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.08777 |
| Heavy Atoms | 17 |
| Complexity | 557.8018 |
Chemical Identifiers
| CAS Number | 728882-86-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)N3C=CC=C3 |
Product Overview
5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 728882-86-8), with molecular formula C14H14N2S and molecular weight 242.09 g/mol. IUPAC: 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile.
Chemical Property Profile of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile
Property Insights of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile
The XLogP value of 3.67938 indicates that 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile has 0 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 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile?
The CAS number of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile is 728882-86-8.
What is the molecular formula of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular formula of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile is C14H14N2S.
What is the molecular weight of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular weight of 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile is 242.09 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile?
You can request a quote for 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-2-(1H-pyrrol-1-yl)-4H-cyclohepta[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.