BAS 00801669
TL;DR: BAS 00801669 (CAS 1220715-96-7) is a chemical compound with molecular formula C28H22N4O5S and molecular weight 526.1311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 00801669, 2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(3-nitrophenyl)acetamide, 2-(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide, 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
Technical Specifications
| Molecular Formula | C28H22N4O5S |
| Molecular Weight | 526.1311 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.1311 Da |
| Heavy Atoms | 38 |
| Complexity | 841.0 |
| SMILES | COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)OC |
| InChIKey | LDTDIKAFMBRNEW-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00801669
Property Insights of BAS 00801669
The XLogP value of 5.4 indicates that BAS 00801669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting BAS 00801669 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00801669 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00801669?
The CAS number of BAS 00801669 is 1220715-96-7.
What is the molecular formula of BAS 00801669?
The molecular formula of BAS 00801669 is C28H22N4O5S.
What is the molecular weight of BAS 00801669?
The molecular weight of BAS 00801669 is 526.1311 g/mol.
Where can I buy BAS 00801669?
You can request a quote for BAS 00801669 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00801669?
Yes, CoreyChem provides custom synthesis services for BAS 00801669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.