![12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate structure](/static/products/866/866008-86-8.png)
12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate
TL;DR: 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate (CAS 866008-86-8) is a chemical compound with molecular formula C19H15NO3S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19-oxo-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaen-9-yl) acetate
Also Known As: 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate, 19-oxo-11-thia-1-azatetracyclo[10.7.0.0(3),?.0(1)(3),(1)?]nonadeca-3(8),4,6,9,13(18),14,16-heptaen-9-yl acetate
| Molecular Formula | C19H15NO3S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.9495 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.07727 |
| Heavy Atoms | 24 |
| Complexity | 874.42053 |
Chemical Identifiers
| CAS Number | 866008-86-8 |
|---|---|
| SMILES | CC(=O)OC1=CSC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C41 |
Product Overview
12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate (CAS 866008-86-8), with molecular formula C19H15NO3S and molecular weight 337.08 g/mol. IUPAC: (19-oxo-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaen-9-yl) acetate.
Chemical Property Profile of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate
Property Insights of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate
The XLogP value of 3.9495 indicates that 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate has 0 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 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate?
The CAS number of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate is 866008-86-8.
What is the molecular formula of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate?
The molecular formula of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate is C19H15NO3S.
What is the molecular weight of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate?
The molecular weight of 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate is 337.08 g/mol.
Where can I buy 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate?
You can request a quote for 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-oxo-7a,12-dihydro-14H-isoindolo[2,1-b][4,2]benzothiazocin-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.