![9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one structure](/static/products/1212/1212413-22-3.webp)
9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
TL;DR: 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one (CAS 1212413-22-3) is a chemical compound with molecular formula C17H16FNOS2 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
Also Known As: 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one, (4aR,5S,8R)-9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one, 3-(4-fluorophenyl)-5,9-dithia-7-azatetracyclo[9.2.1.0<2,10>.0<4,8>]tetradec-4( 8)-en-6-one
| Molecular Formula | C17H16FNOS2 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.2278 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.06573 |
| Heavy Atoms | 22 |
| Complexity | 780.7018 |
Chemical Identifiers
| CAS Number | 1212413-22-3 |
|---|---|
| SMILES | C1CC2CC1C3C2SC4=C(C3C5=CC=C(C=C5)F)SC(=O)N4 |
Product Overview
9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one (CAS 1212413-22-3), with molecular formula C17H16FNOS2 and molecular weight 333.07 g/mol. IUPAC: 9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one.
Chemical Property Profile of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
Property Insights of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
The XLogP value of 4.2278 indicates that 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one?
The CAS number of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is 1212413-22-3.
What is the molecular formula of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one?
The molecular formula of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is C17H16FNOS2.
What is the molecular weight of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one?
The molecular weight of 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is 333.07 g/mol.
Where can I buy 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one?
You can request a quote for 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-fluorophenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.