BP 16
TL;DR: BP 16 (CAS 6329-02-8) is a chemical compound with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate
Also Known As: BP 16, ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate, ethyl(3-chloropyrazin-2-yl)(cyano)acetate, alpha-(6-Chloropyrazinyl)-alpha-cyanoethylacetate, ETHYL (3-CHLOROPYRAZIN-2-YL)(CYANO)ACETATE
| Molecular Formula | C9H8ClN3O2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.0305 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6329-02-8 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=NC=CN=C1Cl |
| InChIKey | OAFKXQPCHFJKPC-UHFFFAOYSA-N |
Product Overview
BP 16 (CAS 6329-02-8), with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol. IUPAC: ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate.
Chemical Property Profile of BP 16
Property Insights of BP 16
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BP 16. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BP 16. Following Lipinski's Rule of Five, BP 16 has 0 hydrogen bond donor(s) and 5 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 BP 16?
The CAS number of BP 16 is 6329-02-8.
What is the molecular formula of BP 16?
The molecular formula of BP 16 is C9H8ClN3O2.
What is the molecular weight of BP 16?
The molecular weight of BP 16 is 225.03 g/mol.
Where can I buy BP 16?
You can request a quote for BP 16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BP 16?
Yes, KEHONG BIO provides custom synthesis services for BP 16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.