4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine
TL;DR: 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine (CAS 685106-68-7) is a chemical compound with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2-phenylpyrimidine
Also Known As: 4-(1,3-benzodioxol-5-yl)-2-phenylpyrimidine, 4-(2H-1,3-benzodioxol-5-yl)-2-phenylpyrimidine
| Molecular Formula | C17H12N2O2 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.5393 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.08987 |
| Heavy Atoms | 21 |
| Complexity | 787.80334 |
Chemical Identifiers
| CAS Number | 685106-68-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)C4=CC=CC=C4 |
Product Overview
4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine (CAS 685106-68-7), with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-phenylpyrimidine.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine
Property Insights of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine
The XLogP value of 3.5393 indicates that 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine 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 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine?
The CAS number of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine is 685106-68-7.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine is C17H12N2O2.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine is 276.09 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)-2-phenylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.