N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide
TL;DR: N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide (CAS 296799-46-7) is a chemical compound with molecular formula C20H13N5OS2 and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]acetamide
Also Known As: ChemDiv1_017657, A0718/0033508, N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide, N-(1,3-BENZOTHIAZOL-2-YL)-2-({5-CYANO-[2,4'-BIPYRIDIN]-6-YL}SULFANYL)ACETAMIDE, N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetamide
| Molecular Formula | C20H13N5OS2 |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.35578 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.05615 |
| Heavy Atoms | 28 |
| Complexity | 1151.1531 |
Chemical Identifiers
| CAS Number | 296799-46-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N |
Product Overview
N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide (CAS 296799-46-7), with molecular formula C20H13N5OS2 and molecular weight 403.06 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide
Property Insights of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide
The XLogP value of 4.35578 indicates that N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide. Following Lipinski's Rule of Five, N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide has 1 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 N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide?
The CAS number of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide is 296799-46-7.
What is the molecular formula of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide?
The molecular formula of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide is C20H13N5OS2.
What is the molecular weight of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide?
The molecular weight of N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide is 403.06 g/mol.
Where can I buy N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide?
You can request a quote for N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzothiazol-2-yl-2-(3-cyano-6-(4-pyridyl)(2-pyridylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.