Thrombin Inhibitor 2
TL;DR: Thrombin Inhibitor 2 (CAS 312904-62-4) is a chemical compound with molecular formula C19H16ClF3N6O2 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
Also Known As: Thrombin Inhibitor 2, J1.905.355E, 1(2H)-Pyrazineacetamide, 6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-N-[(3-fluoro-2-pyridinyl)methyl]-2-oxo-, 2-(6-Chloro-3-((2,2-difluoro-2-(pyridin-2-yl)ethyl)amino)-2-oxopyrazin-1(2H)-yl)-N-((3-fluoropyridin-2-yl)methyl)acetamide, 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoropyridin-2-yl)methyl]acetamide
| Molecular Formula | C19H16ClF3N6O2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 2.3461 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.09753 |
| Heavy Atoms | 31 |
| Complexity | 1127.126 |
Chemical Identifiers
| CAS Number | 312904-62-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F |
Product Overview
Thrombin Inhibitor 2 (CAS 312904-62-4), with molecular formula C19H16ClF3N6O2 and molecular weight 452.10 g/mol. IUPAC: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide.
Chemical Property Profile of Thrombin Inhibitor 2
Property Insights of Thrombin Inhibitor 2
The XLogP value of 2.3461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thrombin Inhibitor 2. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Thrombin Inhibitor 2. Following Lipinski's Rule of Five, Thrombin Inhibitor 2 has 2 hydrogen bond donor(s) and 6 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 Thrombin Inhibitor 2?
The CAS number of Thrombin Inhibitor 2 is 312904-62-4.
What is the molecular formula of Thrombin Inhibitor 2?
The molecular formula of Thrombin Inhibitor 2 is C19H16ClF3N6O2.
What is the molecular weight of Thrombin Inhibitor 2?
The molecular weight of Thrombin Inhibitor 2 is 452.10 g/mol.
Where can I buy Thrombin Inhibitor 2?
You can request a quote for Thrombin Inhibitor 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thrombin Inhibitor 2?
Yes, KEHONG BIO provides custom synthesis services for Thrombin Inhibitor 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.