4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine
TL;DR: 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine (CAS 860788-68-7) is a chemical compound with molecular formula C16H11N3S and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzothiophen-2-yl)-2-pyrrol-1-ylpyrimidine
Also Known As: 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine, 4-(1-benzothiophen-2-yl)-2-pyrrol-1-ylpyrimidine, 1T-9007, 4-(1-benzothiophen-2-yl)-2-(pyrrol-1-yl)pyrimidine
| Molecular Formula | C16H11N3S |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 4.149 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.06738 |
| Heavy Atoms | 20 |
| Complexity | 829.21796 |
Chemical Identifiers
| CAS Number | 860788-68-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)N4C=CC=C4 |
Product Overview
4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine (CAS 860788-68-7), with molecular formula C16H11N3S and molecular weight 277.07 g/mol. IUPAC: 4-(1-benzothiophen-2-yl)-2-pyrrol-1-ylpyrimidine.
Chemical Property Profile of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine
Property Insights of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine
The XLogP value of 4.149 indicates that 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine 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 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine?
The CAS number of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine is 860788-68-7.
What is the molecular formula of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine?
The molecular formula of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine is C16H11N3S.
What is the molecular weight of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine?
The molecular weight of 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine is 277.07 g/mol.
Where can I buy 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine?
You can request a quote for 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-benzothiophen-2-yl)-2-(1H-pyrrol-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.