4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate
TL;DR: 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate (CAS 154954-02-6) is a chemical compound with molecular formula C22H12N2OS and molecular weight 352.06705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-isothiocyanatophenyl)phenanthro[9,10-d][1,3]oxazole
Also Known As: 4-(Phenanthro[9,10-d]oxazol-2-yl)phenyl isothiocyanate, 4-(Phenanthro 9 10-d!oxazol-2-yl)phe-, 2-(4-isothiocyanatophenyl)phenanthro[9,10-d][1,3]oxazole, 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate, 2-(4-Isothiocyanatophenyl)phenanthro[9,10-d]oxazole,4-POPIC
Technical Specifications
| Molecular Formula | C22H12N2OS |
| Molecular Weight | 352.06705 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.06705 Da |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(O4)C5=CC=C(C=C5)N=C=S |
| InChIKey | XUKJUVSDNBXHGR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate
Property Insights of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate
The XLogP value of 6.4 indicates that 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate. Following Lipinski's Rule of Five, 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate?
The CAS number of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate is 154954-02-6.
What is the molecular formula of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate?
The molecular formula of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate is C22H12N2OS.
What is the molecular weight of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate?
The molecular weight of 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate is 352.06705 g/mol.
Where can I buy 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate?
You can request a quote for 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate?
Yes, CoreyChem provides custom synthesis services for 4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.