3-Pyrimidin-5-yl-benzoic acid methyl ester
TL;DR: 3-Pyrimidin-5-yl-benzoic acid methyl ester (CAS 1263378-65-9) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-pyrimidin-5-ylbenzoate
Also Known As: 3-Pyrimidin-5-yl-benzoic acid methyl ester, Methyl 3-(pyrimidin-5-yl)benzoate, Methyl 3-(5-pyrimidinyl)benzoate, Methyl 3-pyrimidin-5-ylbenzoate, Methyl3-(pyrimidin-5-yl)benzoate
Technical Specifications
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.07423 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 Da |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
| SMILES | COC(=O)C1=CC=CC(=C1)C2=CN=CN=C2 |
| InChIKey | CACBVCUXWFPXCE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyrimidin-5-yl-benzoic acid methyl ester
Property Insights of 3-Pyrimidin-5-yl-benzoic acid methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrimidin-5-yl-benzoic acid methyl ester. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Pyrimidin-5-yl-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrimidin-5-yl-benzoic acid methyl ester 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
What is the CAS number of 3-Pyrimidin-5-yl-benzoic acid methyl ester?
The CAS number of 3-Pyrimidin-5-yl-benzoic acid methyl ester is 1263378-65-9.
What is the molecular formula of 3-Pyrimidin-5-yl-benzoic acid methyl ester?
The molecular formula of 3-Pyrimidin-5-yl-benzoic acid methyl ester is C12H10N2O2.
What is the molecular weight of 3-Pyrimidin-5-yl-benzoic acid methyl ester?
The molecular weight of 3-Pyrimidin-5-yl-benzoic acid methyl ester is 214.07423 g/mol.
Where can I buy 3-Pyrimidin-5-yl-benzoic acid methyl ester?
You can request a quote for 3-Pyrimidin-5-yl-benzoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyrimidin-5-yl-benzoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pyrimidin-5-yl-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.