Bionet1_004333
TL;DR: Bionet1_004333 (CAS 478045-71-5) is a chemical compound with molecular formula C21H16FN3OS and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-4-fluorobenzamide
Also Known As: Bionet1_004333, 4P-651S, N-{2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl}-4-fluorobenzenecarboxamide, N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}-4-fluorobenzamide, N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylphenyl]-4-fluorobenzamide
| Molecular Formula | C21H16FN3OS |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 5.11272 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.09982 |
| Heavy Atoms | 27 |
| Complexity | 1042.2826 |
Chemical Identifiers
| CAS Number | 478045-71-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)C |
Product Overview
Bionet1_004333 (CAS 478045-71-5), with molecular formula C21H16FN3OS and molecular weight 377.10 g/mol. IUPAC: N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-4-fluorobenzamide.
Chemical Property Profile of Bionet1_004333
Property Insights of Bionet1_004333
The XLogP value of 5.11272 indicates that Bionet1_004333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004333. Following Lipinski's Rule of Five, Bionet1_004333 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004333?
The CAS number of Bionet1_004333 is 478045-71-5.
What is the molecular formula of Bionet1_004333?
The molecular formula of Bionet1_004333 is C21H16FN3OS.
What is the molecular weight of Bionet1_004333?
The molecular weight of Bionet1_004333 is 377.10 g/mol.
Where can I buy Bionet1_004333?
You can request a quote for Bionet1_004333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004333?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.