1-Chloro-4-methyldibenzo(b,e)thiin-10-one
TL;DR: 1-Chloro-4-methyldibenzo(b,e)thiin-10-one (CAS 57450-55-2) 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.
1-chloro-4-methylthioxanthen-9-one
Also Known As: 1-chloro-4-methyl-9h-thioxanthen-9-one, 1-Chloro-4-methyldibenzo(b,e)thiin-10-one, 1-chloro-4-methylthioxanthen-9-one, 1-chloro-4-methyldibenzo[b,e]thiin-10-one, 9H-Thioxanthen-9-one, 1-chloro-4-methyl-
| Molecular Formula | C14H9ClOS |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.00626 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 57450-55-2 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2 |
| InChIKey | CEZJUBYDGRMXGE-UHFFFAOYSA-N |
Product Overview
1-Chloro-4-methyldibenzo(b,e)thiin-10-one (CAS 57450-55-2), with molecular formula C14H9ClOS and molecular weight 260.01 g/mol. IUPAC: 1-chloro-4-methylthioxanthen-9-one.
Chemical Property Profile of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one
Property Insights of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one
The XLogP value of 3.3 indicates that 1-Chloro-4-methyldibenzo(b,e)thiin-10-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1-Chloro-4-methyldibenzo(b,e)thiin-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-methyldibenzo(b,e)thiin-10-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 1-Chloro-4-methyldibenzo(b,e)thiin-10-one?
The CAS number of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one is 57450-55-2.
What is the molecular formula of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one?
The molecular formula of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one is C14H9ClOS.
What is the molecular weight of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one?
The molecular weight of 1-Chloro-4-methyldibenzo(b,e)thiin-10-one is 260.01 g/mol.
Where can I buy 1-Chloro-4-methyldibenzo(b,e)thiin-10-one?
You can request a quote for 1-Chloro-4-methyldibenzo(b,e)thiin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-methyldibenzo(b,e)thiin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-methyldibenzo(b,e)thiin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.