4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
TL;DR: 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine (CAS 439108-53-9) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 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-methylpyrimidine
Also Known As: 4-(1,3-benzodioxol-5-yl)-2-methylpyrimidine, 4-(2H-1,3-benzodioxol-5-yl)-2-methylpyrimidine, J3.730.543J, 4-(1,3-benzodioxol-5-yl)-2-methyl-pyrimidine
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.18072 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 540.292 |
Chemical Identifiers
| CAS Number | 439108-53-9 |
|---|---|
| SMILES | CC1=NC=CC(=N1)C2=CC3=C(C=C2)OCO3 |
Product Overview
4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine (CAS 439108-53-9), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-methylpyrimidine.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
Property Insights of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
The XLogP value of 2.18072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine. With a topological polar surface area (TPSA) of 44.24 Ų, 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine 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-methylpyrimidine?
The CAS number of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine is 439108-53-9.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine is C12H10N2O2.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine is 214.07 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine 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-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.