![1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene structure](/static/products/1169/116928-93-9.webp)
1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene
TL;DR: 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene (CAS 116928-93-9) is a chemical compound with molecular formula C21H17NO2S and molecular weight 347.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzylsulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine
Also Known As: KST-1A9997, N-((Phenylmethyl)sulfonyl)phenanthrene 9,10-imine, 1-(benzylsulfonyl)-1a,9b-dihydro-1h-phenanthro[9,10-b]azirene, 1-benzylsulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine, 1H-Phenanthro[9,10-b]azirine,1a,9b-dihydro-1-[(phenylmethyl)sulfonyl]-
Technical Specifications
| Molecular Formula | C21H17NO2S |
| Molecular Weight | 347.098 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.098 Da |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)N2C3C2C4=CC=CC=C4C5=CC=CC=C35 |
| InChIKey | ITJOKKLWPNWBPQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene
Property Insights of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene
The XLogP value of 3.5 indicates that 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene has 0 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 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?
The CAS number of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 116928-93-9.
What is the molecular formula of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?
The molecular formula of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is C21H17NO2S.
What is the molecular weight of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?
The molecular weight of 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 347.098 g/mol.
Where can I buy 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?
You can request a quote for 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?
Yes, CoreyChem provides custom synthesis services for 1-(Phenylmethanesulfonyl)-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.