7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one
TL;DR: 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one (CAS 7037-35-6) is a chemical compound with molecular formula C16H14O2S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-phenyl-1H-isothiochromen-4-one
Also Known As: 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one, 7-methoxy-3-phenyl-1H-isothiochromen-4-one, 7-Methoxy-3-phenyl-4-isothiochromanon, 7-methoxy-3-phenyl-isothiochroman-4-one
| Molecular Formula | C16H14O2S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.07144 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 7037-35-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(SC2)C3=CC=CC=C3 |
| InChIKey | QHNGVLZCZBQBJQ-UHFFFAOYSA-N |
Product Overview
7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one (CAS 7037-35-6), with molecular formula C16H14O2S and molecular weight 270.07 g/mol. IUPAC: 7-methoxy-3-phenyl-1H-isothiochromen-4-one.
Chemical Property Profile of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one
Property Insights of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one
The XLogP value of 3.6 indicates that 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-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, 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-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 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one?
The CAS number of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one is 7037-35-6.
What is the molecular formula of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one?
The molecular formula of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one is C16H14O2S.
What is the molecular weight of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one?
The molecular weight of 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one is 270.07 g/mol.
Where can I buy 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one?
You can request a quote for 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.