AB00323085-02
TL;DR: AB00323085-02 (CAS 693234-62-7) is a chemical compound with molecular formula C22H18F3N3O2S and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00323085-02, 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C22H18F3N3O2S |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 4.7244 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.10718 |
| Heavy Atoms | 31 |
| Complexity | 1089.894 |
Chemical Identifiers
| CAS Number | 693234-62-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AB00323085-02 (CAS 693234-62-7), with molecular formula C22H18F3N3O2S and molecular weight 445.11 g/mol. IUPAC: 2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00323085-02
Property Insights of AB00323085-02
The XLogP value of 4.7244 indicates that AB00323085-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00323085-02. Following Lipinski's Rule of Five, AB00323085-02 has 2 hydrogen bond donor(s) and 4 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 AB00323085-02?
The CAS number of AB00323085-02 is 693234-62-7.
What is the molecular formula of AB00323085-02?
The molecular formula of AB00323085-02 is C22H18F3N3O2S.
What is the molecular weight of AB00323085-02?
The molecular weight of AB00323085-02 is 445.11 g/mol.
Where can I buy AB00323085-02?
You can request a quote for AB00323085-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00323085-02?
Yes, KEHONG BIO provides custom synthesis services for AB00323085-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.