(Z)-3-(4-methoxybenzylidene)thiochroman-4-one
TL;DR: (Z)-3-(4-methoxybenzylidene)thiochroman-4-one (CAS 101017-55-4) is a chemical compound with molecular formula C17H14O2S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one
Also Known As: (3Z)-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one, (z)-3-(4-methoxybenzylidene)thiochroman-4-one, (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one, J2.487.175D, (3Z)-3-[(4-methoxyphenyl)methylene]thiochroman-4-one
| Molecular Formula | C17H14O2S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 4.0672 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07144 |
| Heavy Atoms | 20 |
| Complexity | 671.6443 |
Chemical Identifiers
| CAS Number | 101017-55-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\CSC3=CC=CC=C3C2=O |
Product Overview
(Z)-3-(4-methoxybenzylidene)thiochroman-4-one (CAS 101017-55-4), with molecular formula C17H14O2S and molecular weight 282.07 g/mol. IUPAC: (3Z)-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one.
Chemical Property Profile of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one
Property Insights of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one
The XLogP value of 4.0672 indicates that (Z)-3-(4-methoxybenzylidene)thiochroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-3-(4-methoxybenzylidene)thiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(4-methoxybenzylidene)thiochroman-4-one has 0 hydrogen bond donor(s) and 3 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 (Z)-3-(4-methoxybenzylidene)thiochroman-4-one?
The CAS number of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one is 101017-55-4.
What is the molecular formula of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one?
The molecular formula of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one is C17H14O2S.
What is the molecular weight of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one?
The molecular weight of (Z)-3-(4-methoxybenzylidene)thiochroman-4-one is 282.07 g/mol.
Where can I buy (Z)-3-(4-methoxybenzylidene)thiochroman-4-one?
You can request a quote for (Z)-3-(4-methoxybenzylidene)thiochroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-methoxybenzylidene)thiochroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-methoxybenzylidene)thiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.