BAS 01377458
TL;DR: BAS 01377458 (CAS 337505-13-2) is a chemical compound with molecular formula C19H20N4O3S2 and molecular weight 416.0977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: BAS 01377458, BIM-0039948.P001, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-({3-CYANO-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDIN-2-YL}SULFANYL)-N-(4-SULFAMOYLPHENYL)ACETAMIDE
Technical Specifications
| Molecular Formula | C19H20N4O3S2 |
| Molecular Weight | 416.0977 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0977 Da |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C#N |
| InChIKey | OCRASINPRVHTDY-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01377458
Property Insights of BAS 01377458
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01377458. The TPSA of 160.0 Ų indicates high polarity, suggesting BAS 01377458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01377458 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 01377458?
The CAS number of BAS 01377458 is 337505-13-2.
What is the molecular formula of BAS 01377458?
The molecular formula of BAS 01377458 is C19H20N4O3S2.
What is the molecular weight of BAS 01377458?
The molecular weight of BAS 01377458 is 416.0977 g/mol.
Where can I buy BAS 01377458?
You can request a quote for BAS 01377458 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01377458?
Yes, CoreyChem provides custom synthesis services for BAS 01377458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.