4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-
TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- (CAS 130689-01-9) is a chemical compound with molecular formula C17H12O3S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-3-(1,3-benzodioxol-5-ylmethylene)-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-, (3Z)-3-(1,3-benzodioxol-5-ylmethylene)thiochroman-4-one, (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)thiochromen-4-one, 4H-1-benzothiopyran-4-one, 3-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-, (3Z)-
| Molecular Formula | C17H12O3S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.7873 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.05072 |
| Heavy Atoms | 21 |
| Complexity | 764.38055 |
Chemical Identifiers
| CAS Number | 130689-01-9 |
|---|---|
| SMILES | C1/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C4=CC=CC=C4S1 |
Product Overview
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- (CAS 130689-01-9), with molecular formula C17H12O3S and molecular weight 296.05 g/mol. IUPAC: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)thiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-
Property Insights of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-
The XLogP value of 3.7873 indicates that 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- 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 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-?
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- is 130689-01-9.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- is C17H12O3S.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- is 296.05 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.