Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate
TL;DR: Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate (CAS 31689-73-3) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate
Also Known As: 6-Hydroxydibenzo(b,e)thiepin-11(6H)-one acetate, 6-Acetoxy-6,11-dihydrodibenzo(b,e)thiepin-11-one, DIBENZO(b,e)THIEPIN-11(6H)-ONE, 6-HYDROXY-, ACETATE, (11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate, (11-Oxo-6H-benzo[c][1]benzothiepin-6-yl)acetate
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 31689-73-3 |
|---|---|
| SMILES | CC(=O)OC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1 |
| InChIKey | OCBVOCHRPOKVBT-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate (CAS 31689-73-3), with molecular formula C16H12O3S and molecular weight 284.05 g/mol. IUPAC: (11-oxo-6H-benzo[c][1]benzothiepin-6-yl) acetate.
Chemical Property Profile of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate
Property Insights of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate
The XLogP value of 3.5 indicates that Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, 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 Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate?
The CAS number of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate is 31689-73-3.
What is the molecular formula of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate?
The molecular formula of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate is C16H12O3S.
What is the molecular weight of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate?
The molecular weight of Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate is 284.05 g/mol.
Where can I buy Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate?
You can request a quote for Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.