吡嗪甲酸4-甲基苯酯
TL;DR: 吡嗪甲酸4-甲基苯酯 (CAS 132172-96-4) 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.
吡嗪甲酸4-甲基苯酯
(4-methylphenyl) pyrazine-2-carboxylate
Also Known As: 4-Tolyl pyrazinoate, p-Tolyl Pyrazinoate, p-tolyl pyrazine-2-carboxylate, Pyrazinecarboxylic acid, 4-methylphenyl ester, (4-methylphenyl) pyrazine-2-carboxylate
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 132172-96-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=NC=CN=C2 |
| InChIKey | YJPASBYDCPRNPD-UHFFFAOYSA-N |
Product Overview
吡嗪甲酸4-甲基苯酯 (CAS 132172-96-4), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: (4-methylphenyl) pyrazine-2-carboxylate.
Chemical Property Profile of 吡嗪甲酸4-甲基苯酯
Property Insights of 吡嗪甲酸4-甲基苯酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡嗪甲酸4-甲基苯酯. With a topological polar surface area (TPSA) of 52.1 Ų, 吡嗪甲酸4-甲基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡嗪甲酸4-甲基苯酯 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 吡嗪甲酸4-甲基苯酯?
The CAS number of 吡嗪甲酸4-甲基苯酯 is 132172-96-4.
What is the molecular formula of 吡嗪甲酸4-甲基苯酯?
The molecular formula of 吡嗪甲酸4-甲基苯酯 is C12H10N2O2.
What is the molecular weight of 吡嗪甲酸4-甲基苯酯?
The molecular weight of 吡嗪甲酸4-甲基苯酯 is 214.07 g/mol.
Where can I buy 吡嗪甲酸4-甲基苯酯?
You can request a quote for 吡嗪甲酸4-甲基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡嗪甲酸4-甲基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 吡嗪甲酸4-甲基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.