5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one
TL;DR: 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one (CAS 93367-30-7) is a chemical compound with molecular formula C17H13ClO2S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-6-methoxy-2-phenylthiochromen-4-one
Also Known As: 5-(chloromethyl)-6-methoxy-2-phenylthiochromen-4-one, 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one, RefChem:300368
| Molecular Formula | C17H13ClO2S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.03247 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 93367-30-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)SC(=CC2=O)C3=CC=CC=C3)CCl |
| InChIKey | AKBDKFSYPCLUCV-UHFFFAOYSA-N |
Product Overview
5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one (CAS 93367-30-7), with molecular formula C17H13ClO2S and molecular weight 316.03 g/mol. IUPAC: 5-(chloromethyl)-6-methoxy-2-phenylthiochromen-4-one.
Chemical Property Profile of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one
Property Insights of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one
The XLogP value of 4.1 indicates that 5-(Chloromethyl)-6-methoxy-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 51.6 Ų, 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one has 0 hydrogen bond donor(s) and 3 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 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one?
The CAS number of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one is 93367-30-7.
What is the molecular formula of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one?
The molecular formula of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one is C17H13ClO2S.
What is the molecular weight of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one?
The molecular weight of 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one is 316.03 g/mol.
Where can I buy 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one?
You can request a quote for 5-(Chloromethyl)-6-methoxy-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 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-6-methoxy-2-phenyl-4H-1-benzothiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.