BAS 01416968
TL;DR: BAS 01416968 (CAS 1212381-57-1) is a chemical compound with molecular formula C18H16BrN3O2S and molecular weight 417.01465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
Also Known As: BAS 01416968, F1284-0177, BRD-A30540239-001-01-7, 8-bromo-2-methyl-N-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxamide, 4-bromo-9-methyl-N-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxamide
Technical Specifications
| Molecular Formula | C18H16BrN3O2S |
| Molecular Weight | 417.01465 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.01465 Da |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
| SMILES | CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2)C(=O)NC4=CC=CC=C4 |
| InChIKey | TWSWFATZOVQBPS-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01416968
Property Insights of BAS 01416968
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01416968. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01416968. Following Lipinski's Rule of Five, BAS 01416968 has 3 hydrogen bond donor(s) and 3 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 01416968?
The CAS number of BAS 01416968 is 1212381-57-1.
What is the molecular formula of BAS 01416968?
The molecular formula of BAS 01416968 is C18H16BrN3O2S.
What is the molecular weight of BAS 01416968?
The molecular weight of BAS 01416968 is 417.01465 g/mol.
Where can I buy BAS 01416968?
You can request a quote for BAS 01416968 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01416968?
Yes, CoreyChem provides custom synthesis services for BAS 01416968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.