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8-chlorodibenzo[b,f]thiepin-10(11H)-one
TL;DR: 8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS 1469-28-9) is a chemical compound with molecular formula C14H9ClOS and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6H-benzo[b][1]benzothiepin-5-one
Also Known As: 8-chlorodibenzo[b,f]thiepin-10(11H)-one, 3-chloro-6H-benzo[b][1]benzothiepin-5-one, Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro-, 8-Chlorodibenzob,fthiepin-10(11H)-one, 2-Chlorodibenzo[b,f]thiepin-11(10H)-one
| Molecular Formula | C14H9ClOS |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.00626 |
| Heavy Atoms | 17 |
| Complexity | 606.92126 |
Chemical Identifiers
| CAS Number | 1469-28-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl |
Product Overview
8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS 1469-28-9), with molecular formula C14H9ClOS and molecular weight 260.01 g/mol. IUPAC: 3-chloro-6H-benzo[b][1]benzothiepin-5-one.
Chemical Property Profile of 8-chlorodibenzo[b,f]thiepin-10(11H)-one
Property Insights of 8-chlorodibenzo[b,f]thiepin-10(11H)-one
The XLogP value of 4.23 indicates that 8-chlorodibenzo[b,f]thiepin-10(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 8-chlorodibenzo[b,f]thiepin-10(11H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chlorodibenzo[b,f]thiepin-10(11H)-one has 0 hydrogen bond donor(s) and 2 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 8-chlorodibenzo[b,f]thiepin-10(11H)-one?
The CAS number of 8-chlorodibenzo[b,f]thiepin-10(11H)-one is 1469-28-9.
What is the molecular formula of 8-chlorodibenzo[b,f]thiepin-10(11H)-one?
The molecular formula of 8-chlorodibenzo[b,f]thiepin-10(11H)-one is C14H9ClOS.
What is the molecular weight of 8-chlorodibenzo[b,f]thiepin-10(11H)-one?
The molecular weight of 8-chlorodibenzo[b,f]thiepin-10(11H)-one is 260.01 g/mol.
Where can I buy 8-chlorodibenzo[b,f]thiepin-10(11H)-one?
You can request a quote for 8-chlorodibenzo[b,f]thiepin-10(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-chlorodibenzo[b,f]thiepin-10(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chlorodibenzo[b,f]thiepin-10(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.