3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal
TL;DR: 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal (CAS 338755-84-3) is a chemical compound with molecular formula C18H16O3S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylspiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one
Also Known As: Bionet2_001616, 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal, 2-phenylspiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one, 6'-phenyl-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one, 2-phenylspiro[1,3-dioxane-5,3'-thiochromane]-4'-one
| Molecular Formula | C18H16O3S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.707 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.082 |
| Heavy Atoms | 22 |
| Complexity | 690.4883 |
Chemical Identifiers
| CAS Number | 338755-84-3 |
|---|---|
| SMILES | C1C2(COC(O1)C3=CC=CC=C3)CSC4=CC=CC=C4C2=O |
Product Overview
3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal (CAS 338755-84-3), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: 2-phenylspiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one.
Chemical Property Profile of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal
Property Insights of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal
The XLogP value of 3.707 indicates that 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde 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 benzaldehyde acetal has 0 hydrogen bond donor(s) and 4 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 benzaldehyde acetal?
The CAS number of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal is 338755-84-3.
What is the molecular formula of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal?
The molecular formula of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal is C18H16O3S.
What is the molecular weight of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal?
The molecular weight of 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal is 312.08 g/mol.
Where can I buy 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal?
You can request a quote for 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde 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 benzaldehyde acetal?
Yes, KEHONG BIO provides custom synthesis services for 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.