![1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde structure](/static/products/855/855308-68-8.png)
1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
TL;DR: 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde (CAS 855308-68-8) is a chemical compound with molecular formula C13H9N3OS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrole-2-carbaldehyde
Also Known As: 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde, thienylpyrimidinylpyrrolecarbaldehyde, 1-(4-(Thiophen-2-yl)pyrimidin-2-yl)-1H-pyrrole-2-carbaldehyde, 1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrole-2-carbaldehyde, 1-[4-(thiophen-2-yl)pyrimidin-2-yl]-1H-pyrrole-2-carbaldehyde
| Molecular Formula | C13H9N3OS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 2.8083 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.04663 |
| Heavy Atoms | 18 |
| Complexity | 673.1234 |
Chemical Identifiers
| CAS Number | 855308-68-8 |
|---|---|
| SMILES | C1=CN(C(=C1)C=O)C2=NC=CC(=N2)C3=CC=CS3 |
Product Overview
1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde (CAS 855308-68-8), with molecular formula C13H9N3OS and molecular weight 255.05 g/mol. IUPAC: 1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
Property Insights of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
The XLogP value of 2.8083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde has 0 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 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde is 855308-68-8.
What is the molecular formula of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde is C13H9N3OS.
What is the molecular weight of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde is 255.05 g/mol.
Where can I buy 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.