BAS 01118079
TL;DR: BAS 01118079 (CAS 1310426-33-5) is a chemical compound with molecular formula C28H21BrN4O3S and molecular weight 572.05176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-methyl-3-nitrophenyl)propanamide
Also Known As: BAS 01118079, 2-((6-(4-Bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-N-(4-methyl-3-nitrophenyl)propanamide, 2-[6-(4-Bromo-phenyl)-3-cyano-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-propionamide, 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide
Technical Specifications
| Molecular Formula | C28H21BrN4O3S |
| Molecular Weight | 572.05176 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.05176 Da |
| Heavy Atoms | 37 |
| Complexity | 833.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)[N+](=O)[O-] |
| InChIKey | HRJNJKJOTMZGIK-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01118079
Property Insights of BAS 01118079
The XLogP value of 6.9 indicates that BAS 01118079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01118079. Following Lipinski's Rule of Five, BAS 01118079 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 01118079?
The CAS number of BAS 01118079 is 1310426-33-5.
What is the molecular formula of BAS 01118079?
The molecular formula of BAS 01118079 is C28H21BrN4O3S.
What is the molecular weight of BAS 01118079?
The molecular weight of BAS 01118079 is 572.05176 g/mol.
Where can I buy BAS 01118079?
You can request a quote for BAS 01118079 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01118079?
Yes, CoreyChem provides custom synthesis services for BAS 01118079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.