![9-(4-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one structure](/static/products/1164/1164555-60-5.webp)
9-(4-methoxyphenyl)-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-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one (CAS 1164555-60-5) is a chemical compound with molecular formula C18H19NO2S2 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
Also Known As: 9-(4-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one, 9-(4-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one, 9-(4-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one, 3-(4-methoxyphenyl)-5,9-dithia-7-azatetracyclo[9.2.1.0<2,10>.0<4,8>]tetradec-4 (8)-en-6-one, 9-(4-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
| Molecular Formula | C18H19NO2S2 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 4.0973 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.08572 |
| Heavy Atoms | 23 |
| Complexity | 794.0981 |
Chemical Identifiers
| CAS Number | 1164555-60-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C4CCC(C4)C3SC5=C2SC(=O)N5 |
Product Overview
9-(4-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one (CAS 1164555-60-5), with molecular formula C18H19NO2S2 and molecular weight 345.09 g/mol. IUPAC: 9-(4-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one.
Chemical Property Profile of 9-(4-methoxyphenyl)-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-methoxyphenyl)-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 4.0973 indicates that 9-(4-methoxyphenyl)-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 42.09 Ų, 9-(4-methoxyphenyl)-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-methoxyphenyl)-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 4 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-methoxyphenyl)-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-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is 1164555-60-5.
What is the molecular formula of 9-(4-methoxyphenyl)-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-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is C18H19NO2S2.
What is the molecular weight of 9-(4-methoxyphenyl)-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-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one is 345.09 g/mol.
Where can I buy 9-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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.