7-methoxy-3-phenyl-1H-isothiochromene
TL;DR: 7-methoxy-3-phenyl-1H-isothiochromene (CAS 53844-20-5) is a chemical compound with molecular formula C16H14OS and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-phenyl-1H-isothiochromene
Also Known As: 7-methoxy-3-phenyl-1H-isothiochromene, 7-Methoxy-3-phenyl-1H-2-benzothiopyran
| Molecular Formula | C16H14OS |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07654 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 53844-20-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(SC2)C3=CC=CC=C3 |
| InChIKey | RMWJNRHJBAATNI-UHFFFAOYSA-N |
Product Overview
7-methoxy-3-phenyl-1H-isothiochromene (CAS 53844-20-5), with molecular formula C16H14OS and molecular weight 254.08 g/mol. IUPAC: 7-methoxy-3-phenyl-1H-isothiochromene.
Chemical Property Profile of 7-methoxy-3-phenyl-1H-isothiochromene
Property Insights of 7-methoxy-3-phenyl-1H-isothiochromene
The XLogP value of 4.1 indicates that 7-methoxy-3-phenyl-1H-isothiochromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 7-methoxy-3-phenyl-1H-isothiochromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methoxy-3-phenyl-1H-isothiochromene 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 7-methoxy-3-phenyl-1H-isothiochromene?
The CAS number of 7-methoxy-3-phenyl-1H-isothiochromene is 53844-20-5.
What is the molecular formula of 7-methoxy-3-phenyl-1H-isothiochromene?
The molecular formula of 7-methoxy-3-phenyl-1H-isothiochromene is C16H14OS.
What is the molecular weight of 7-methoxy-3-phenyl-1H-isothiochromene?
The molecular weight of 7-methoxy-3-phenyl-1H-isothiochromene is 254.08 g/mol.
Where can I buy 7-methoxy-3-phenyl-1H-isothiochromene?
You can request a quote for 7-methoxy-3-phenyl-1H-isothiochromene 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-isothiochromene?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-3-phenyl-1H-isothiochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.