9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
TL;DR: 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one (CAS 1164547-24-3) is a chemical compound with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
Also Known As: 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one, AB00674324-01, AF-399/42057250, F1422-0003, 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
| Molecular Formula | C18H19NO3S2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.8029 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.08063 |
| Heavy Atoms | 24 |
| Complexity | 858.189 |
Chemical Identifiers
| CAS Number | 1164547-24-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3C4CCC(C4)C3SC5=C2SC(=O)N5)O |
Product Overview
9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one (CAS 1164547-24-3), with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol. IUPAC: 9-(4-hydroxy-3-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-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
Property Insights of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
The XLogP value of 3.8029 indicates that 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one. Following Lipinski's Rule of Five, 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one has 2 hydrogen bond donor(s) and 5 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-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one?
The CAS number of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one is 1164547-24-3.
What is the molecular formula of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one?
The molecular formula of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one is C18H19NO3S2.
What is the molecular weight of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one?
The molecular weight of 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one is 361.08 g/mol.
Where can I buy 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one?
You can request a quote for 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]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-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.