7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one
TL;DR: 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one (CAS 53852-98-5) is a chemical compound with molecular formula C23H22OS and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2,4-diphenyl-6,8-dihydro-4H-thiochromen-5-one
Also Known As: 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one, AF-407/36112042, 7,7-dimethyl-2,4-diphenyl-6,8-dihydro-4H-thiochromen-5-one, 7,7-dimethyl-2,4-diphenyl-5-oxo-5,6,7,8-tetrahydro-4h-thiochromene
| Molecular Formula | C23H22OS |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 6.2013 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.13913 |
| Heavy Atoms | 25 |
| Complexity | 859.4805 |
Chemical Identifiers
| CAS Number | 53852-98-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one (CAS 53852-98-5), with molecular formula C23H22OS and molecular weight 346.14 g/mol. IUPAC: 7,7-dimethyl-2,4-diphenyl-6,8-dihydro-4H-thiochromen-5-one.
Chemical Property Profile of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one
Property Insights of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one
The XLogP value of 6.2013 indicates that 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one?
The CAS number of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one is 53852-98-5.
What is the molecular formula of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one?
The molecular formula of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one is C23H22OS.
What is the molecular weight of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one?
The molecular weight of 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one is 346.14 g/mol.
Where can I buy 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one?
You can request a quote for 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.