2,4-Dichlorobenzyl 2-pyrazinecarboxylate
TL;DR: 2,4-Dichlorobenzyl 2-pyrazinecarboxylate (CAS 577999-95-2) is a chemical compound with molecular formula C12H8Cl2N2O2 and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl pyrazine-2-carboxylate
Also Known As: 2,4-dichlorobenzyl 2-pyrazinecarboxylate, BAS 07002125, (2,4-dichlorophenyl)methyl pyrazine-2-carboxylate, 2,4-dichlorobenzyl pyrazine-2-carboxylate, Pyrazine-2-carboxylic acid 2,4-dichloro-benzyl ester
| Molecular Formula | C12H8Cl2N2O2 |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.99628 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 577999-95-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)COC(=O)C2=NC=CN=C2 |
| InChIKey | MZVIDTRUBYBBJY-UHFFFAOYSA-N |
Product Overview
2,4-Dichlorobenzyl 2-pyrazinecarboxylate (CAS 577999-95-2), with molecular formula C12H8Cl2N2O2 and molecular weight 282.00 g/mol. IUPAC: (2,4-dichlorophenyl)methyl pyrazine-2-carboxylate.
Chemical Property Profile of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate
Property Insights of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzyl 2-pyrazinecarboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, 2,4-Dichlorobenzyl 2-pyrazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 2-pyrazinecarboxylate 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 2,4-Dichlorobenzyl 2-pyrazinecarboxylate?
The CAS number of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate is 577999-95-2.
What is the molecular formula of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate?
The molecular formula of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate is C12H8Cl2N2O2.
What is the molecular weight of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate?
The molecular weight of 2,4-Dichlorobenzyl 2-pyrazinecarboxylate is 282.00 g/mol.
Where can I buy 2,4-Dichlorobenzyl 2-pyrazinecarboxylate?
You can request a quote for 2,4-Dichlorobenzyl 2-pyrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl 2-pyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl 2-pyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.