BAS 01236298
TL;DR: BAS 01236298 (CAS 138781-42-7) is a chemical compound with molecular formula C15H7F17N2O and molecular weight 554.0287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene-1,3-diamine
Also Known As: BAS 01236298, 5-{[1,1,1,4,5,5,5-HEPTAFLUORO-3-(1,1,1,2,3,3,3-HEPTAFLUOROPROPAN-2-YL)-4-(TRIFLUOROMETHYL)PENT-2-EN-2-YL]OXY}BENZENE-1,3-DIAMINE, 5-([3,4,4,4-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)-1,3-benzenediamine, 5-([3,4,4,4-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)-1,3-benzenediamine #, 5-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene-1,3-diamine
Technical Specifications
| Molecular Formula | C15H7F17N2O |
| Molecular Weight | 554.0287 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 4 |
| Exact Mass | 554.0287 Da |
| Heavy Atoms | 35 |
| Complexity | 710.0 |
| SMILES | C1=C(C=C(C=C1N)OC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)N |
| InChIKey | PVSQZURXSZUUNT-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01236298
Property Insights of BAS 01236298
The XLogP value of 6.5 indicates that BAS 01236298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01236298. Following Lipinski's Rule of Five, BAS 01236298 has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 01236298?
The CAS number of BAS 01236298 is 138781-42-7.
What is the molecular formula of BAS 01236298?
The molecular formula of BAS 01236298 is C15H7F17N2O.
What is the molecular weight of BAS 01236298?
The molecular weight of BAS 01236298 is 554.0287 g/mol.
Where can I buy BAS 01236298?
You can request a quote for BAS 01236298 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01236298?
Yes, CoreyChem provides custom synthesis services for BAS 01236298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.