3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one
TL;DR: 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one (CAS 93367-53-4) is a chemical compound with molecular formula C17H13ClOS and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-6-methyl-2-phenylthiochromen-4-one
Also Known As: 3-(chloromethyl)-6-methyl-2-phenylthiochromen-4-one, 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one, 3-(chloromethyl)-6-methyl-2-phenyl-4H-thiochromen-4-one, 2-Phenyl-3-(chloromethyl)-6-methyl-4H-1-benzothiopyran-4-one, RefChem:275298
| Molecular Formula | C17H13ClOS |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.03757 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 93367-53-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=C(C2=O)CCl)C3=CC=CC=C3 |
| InChIKey | PEDSZIKLFVPTGS-UHFFFAOYSA-N |
Product Overview
3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one (CAS 93367-53-4), with molecular formula C17H13ClOS and molecular weight 300.04 g/mol. IUPAC: 3-(chloromethyl)-6-methyl-2-phenylthiochromen-4-one.
Chemical Property Profile of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one
Property Insights of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one
The XLogP value of 4.5 indicates that 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-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, 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-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 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one?
The CAS number of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one is 93367-53-4.
What is the molecular formula of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one?
The molecular formula of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one is C17H13ClOS.
What is the molecular weight of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one?
The molecular weight of 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one is 300.04 g/mol.
Where can I buy 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one?
You can request a quote for 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-6-methyl-2-phenyl-4H-1-benzothiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.