JNK Inhibitor V
TL;DR: JNK Inhibitor V (CAS 861411-83-8) is a chemical compound with molecular formula C20H16N6S and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile
Also Known As: JNK Inhibitor V, 4-Pyrimidineacetonitrile,a-2(3H)-benzothiazolylidene-2-[[2-(3-pyridinyl)ethyl]amino]-,(aZ)-, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile
| Molecular Formula | C20H16N6S |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.93618 |
| Topological Polar Surface Area | 86.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11572 |
| Heavy Atoms | 27 |
| Complexity | 998.89685 |
Chemical Identifiers
| CAS Number | 861411-83-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N/C(=C(\C#N)/C3=NC(=NC=C3)NCCC4=CN=CC=C4)/S2 |
Product Overview
JNK Inhibitor V (CAS 861411-83-8), with molecular formula C20H16N6S and molecular weight 372.12 g/mol. IUPAC: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile.
Chemical Property Profile of JNK Inhibitor V
Property Insights of JNK Inhibitor V
The XLogP value of 3.93618 indicates that JNK Inhibitor V is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.52 Ų falls within the moderate polarity range, balancing permeability and solubility for JNK Inhibitor V. Following Lipinski's Rule of Five, JNK Inhibitor V has 2 hydrogen bond donor(s) and 7 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 JNK Inhibitor V?
The CAS number of JNK Inhibitor V is 861411-83-8.
What is the molecular formula of JNK Inhibitor V?
The molecular formula of JNK Inhibitor V is C20H16N6S.
What is the molecular weight of JNK Inhibitor V?
The molecular weight of JNK Inhibitor V is 372.12 g/mol.
Where can I buy JNK Inhibitor V?
You can request a quote for JNK Inhibitor V directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JNK Inhibitor V?
Yes, KEHONG BIO provides custom synthesis services for JNK Inhibitor V and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.