2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one
TL;DR: 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one (CAS 338755-71-8) is a chemical compound with molecular formula C18H15ClO3S and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)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-chlorobenzaldehyde acetal, 2-(4-chlorophenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one, 6'-(4-chlorophenyl)-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one, 2-(4-chlorophenyl)spiro[1,3-dioxane-5,3'-thiochromane]-4'-one, 2'-(4-Chlorophenyl)-2H,4H-spiro[[1]benzothiopyran-3,5'-[1,3]dioxan]-4-one
| Molecular Formula | C18H15ClO3S |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 4.3604 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.04303 |
| Heavy Atoms | 23 |
| Complexity | 736.1868 |
Chemical Identifiers
| CAS Number | 338755-71-8 |
|---|---|
| SMILES | C1C2(COC(O1)C3=CC=C(C=C3)Cl)CSC4=CC=CC=C4C2=O |
Product Overview
2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one (CAS 338755-71-8), with molecular formula C18H15ClO3S and molecular weight 346.04 g/mol. IUPAC: 2-(4-chlorophenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one.
Chemical Property Profile of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one
Property Insights of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one
The XLogP value of 4.3604 indicates that 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one 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 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one?
The CAS number of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one is 338755-71-8.
What is the molecular formula of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one?
The molecular formula of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one is C18H15ClO3S.
What is the molecular weight of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one?
The molecular weight of 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one is 346.04 g/mol.
Where can I buy 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one?
You can request a quote for 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2'-(4-Chlorophenyl)spiro(2H-1-benzothiopyran-3(4H),5'-(1,3)dioxan)-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.