3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal
TL;DR: 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal (CAS 339028-98-7) is a chemical compound with molecular formula C19H18O4S and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one
Also Known As: 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal, 2-(4-methoxyphenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one, 6'-(4-methoxyphenyl)-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one, 2-(4-methoxyphenyl)spiro[1,3-dioxane-5,3'-thiochromane]-4'-one
| Molecular Formula | C19H18O4S |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 3.7156 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.0926 |
| Heavy Atoms | 24 |
| Complexity | 748.21704 |
Chemical Identifiers
| CAS Number | 339028-98-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2OCC3(CO2)CSC4=CC=CC=C4C3=O |
Product Overview
3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal (CAS 339028-98-7), with molecular formula C19H18O4S and molecular weight 342.09 g/mol. IUPAC: 2-(4-methoxyphenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one.
Chemical Property Profile of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal
Property Insights of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal
The XLogP value of 3.7156 indicates that 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal has 0 hydrogen bond donor(s) and 5 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 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal?
The CAS number of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal is 339028-98-7.
What is the molecular formula of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal?
The molecular formula of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal is C19H18O4S.
What is the molecular weight of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal?
The molecular weight of 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal is 342.09 g/mol.
Where can I buy 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal?
You can request a quote for 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 4-methoxybenzaldehyde acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.