BAS 13108062
TL;DR: BAS 13108062 (CAS 1005094-91-6) is a chemical compound with molecular formula C17H16FNO5 and molecular weight 333.10126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-fluoroanilino)-2-oxoethyl] 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
Also Known As: BAS 13108062, 2-(4-fluoroanilino)-2-oxoethyl 5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate, 2-[(4-fluorophenyl)amino]-2-oxoethyl 2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylate, [2-(4-fluoroanilino)-2-oxoethyl] 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate, 5-Oxo-4-oxa-tricyclo[4.2.1.0*3,7*]nonane-9-carboxylic acid (4-fluoro-phenylcarbamoyl)-methyl ester
Technical Specifications
| Molecular Formula | C17H16FNO5 |
| Molecular Weight | 333.10126 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.10126 Da |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
| SMILES | C1C2CC3C1C(C2C(=O)OCC(=O)NC4=CC=C(C=C4)F)C(=O)O3 |
| InChIKey | YBHZCCDSCAEROQ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 13108062
Property Insights of BAS 13108062
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13108062. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13108062. Following Lipinski's Rule of Five, BAS 13108062 has 1 hydrogen bond donor(s) and 6 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 13108062?
The CAS number of BAS 13108062 is 1005094-91-6.
What is the molecular formula of BAS 13108062?
The molecular formula of BAS 13108062 is C17H16FNO5.
What is the molecular weight of BAS 13108062?
The molecular weight of BAS 13108062 is 333.10126 g/mol.
Where can I buy BAS 13108062?
You can request a quote for BAS 13108062 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 13108062?
Yes, CoreyChem provides custom synthesis services for BAS 13108062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.