6-Methyl-4-phenyl-4-thiochromanol
TL;DR: 6-Methyl-4-phenyl-4-thiochromanol (CAS 439111-71-4) is a chemical compound with molecular formula C16H16OS and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-phenyl-2,3-dihydrothiochromen-4-ol
Also Known As: 6-methyl-4-phenyl-4-thiochromanol, 6-methyl-4-phenyl-3,4-dihydro-2H-1-benzothiopyran-4-ol, 6-methyl-4-phenyl-thiochroman-4-ol, 6-methyl-4-phenyl-2,3-dihydrothiochromen-4-ol, 7R-1006
| Molecular Formula | C16H16OS |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0922 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 439111-71-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCCC2(C3=CC=CC=C3)O |
| InChIKey | HXFKHHWURCSHAE-UHFFFAOYSA-N |
Product Overview
6-Methyl-4-phenyl-4-thiochromanol (CAS 439111-71-4), with molecular formula C16H16OS and molecular weight 256.09 g/mol. IUPAC: 6-methyl-4-phenyl-2,3-dihydrothiochromen-4-ol.
Chemical Property Profile of 6-Methyl-4-phenyl-4-thiochromanol
Property Insights of 6-Methyl-4-phenyl-4-thiochromanol
The XLogP value of 3.6 indicates that 6-Methyl-4-phenyl-4-thiochromanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 6-Methyl-4-phenyl-4-thiochromanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-4-phenyl-4-thiochromanol has 1 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 6-Methyl-4-phenyl-4-thiochromanol?
The CAS number of 6-Methyl-4-phenyl-4-thiochromanol is 439111-71-4.
What is the molecular formula of 6-Methyl-4-phenyl-4-thiochromanol?
The molecular formula of 6-Methyl-4-phenyl-4-thiochromanol is C16H16OS.
What is the molecular weight of 6-Methyl-4-phenyl-4-thiochromanol?
The molecular weight of 6-Methyl-4-phenyl-4-thiochromanol is 256.09 g/mol.
Where can I buy 6-Methyl-4-phenyl-4-thiochromanol?
You can request a quote for 6-Methyl-4-phenyl-4-thiochromanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-4-phenyl-4-thiochromanol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-4-phenyl-4-thiochromanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.