2-Chlorodibenzo(b,f)thiepin-10(11H)-one
TL;DR: 2-Chlorodibenzo(b,f)thiepin-10(11H)-one (CAS 1469-31-4) 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-5H-benzo[b][1]benzothiepin-6-one
Also Known As: 2-chlorodibenzo[b,f]thiepin-10(11H)-one, 2-Chlorodibenzo(b,f)thiepin-10(11H)-one, 3-chloro-5H-benzo[b][1]benzothiepin-6-one, 2-chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-one, 13-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-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 | 1469-31-4 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3C1=O |
Product Overview
2-Chlorodibenzo(b,f)thiepin-10(11H)-one (CAS 1469-31-4), with molecular formula C14H9ClOS and molecular weight 260.01 g/mol. IUPAC: 3-chloro-5H-benzo[b][1]benzothiepin-6-one.
Chemical Property Profile of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one
Property Insights of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one
The XLogP value of 4.23 indicates that 2-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, 2-Chlorodibenzo(b,f)thiepin-10(11H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Chlorodibenzo(b,f)thiepin-10(11H)-one?
The CAS number of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one is 1469-31-4.
What is the molecular formula of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one?
The molecular formula of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one is C14H9ClOS.
What is the molecular weight of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one?
The molecular weight of 2-Chlorodibenzo(b,f)thiepin-10(11H)-one is 260.01 g/mol.
Where can I buy 2-Chlorodibenzo(b,f)thiepin-10(11H)-one?
You can request a quote for 2-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 2-Chlorodibenzo(b,f)thiepin-10(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorodibenzo(b,f)thiepin-10(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.