![5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one structure](/static/products/866/866008-85-7.png)
5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one
TL;DR: 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one (CAS 866008-85-7) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaen-19-one
Also Known As: 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one, 9-hydroxy-11-thia-1-azatetracyclo[10.7.0.0^{3,8}.0^{13,18}]nonadeca-3(8),4,6,13(18),14,16-hexaen-19-one, 9-hydroxy-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaen-19-one, 9-hydroxy-11-thia-1-azatetracyclo[10.7.0.0(3),?.0(1)(3),(1)?]nonadeca-3,5,7,13(18),14,16-hexaen-19-one, 9-hydroxy-11-thia-1-azatetracyclo[10.7.0.0?,?.0??,??]nonadeca-3,5,7,13,15,17-hexaen-19-one
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.1214 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 715.4412 |
Chemical Identifiers
| CAS Number | 866008-85-7 |
|---|---|
| SMILES | C1C(C2=CC=CC=C2CN3C(S1)C4=CC=CC=C4C3=O)O |
Product Overview
5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one (CAS 866008-85-7), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 9-hydroxy-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaen-19-one.
Chemical Property Profile of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one
Property Insights of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one
The XLogP value of 3.1214 indicates that 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-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 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one?
The CAS number of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one is 866008-85-7.
What is the molecular formula of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one?
The molecular formula of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one is C17H15NO2S.
What is the molecular weight of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one?
The molecular weight of 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one is 297.08 g/mol.
Where can I buy 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one?
You can request a quote for 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-5,14-dihydro-6H-isoindolo[2,1-b][4,2]benzothiazocin-12(7aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.