4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-
TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- (CAS 130688-99-2) 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.
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one
Also Known As: 5-18-04-00106 (Beilstein Handbook Reference), 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-, (Z)-2,3-Dihydro-3-((3,4-dimethoxyphenyl)methylene)-4H-1-benzothiopyran-4-one, (3Z)-3-[(3,4-dimethoxyphenyl)methylene]thiochroman-4-one, (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one
| Molecular Formula | C18H16O3S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 4.0758 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.082 |
| Heavy Atoms | 22 |
| Complexity | 749.74756 |
Chemical Identifiers
| CAS Number | 130688-99-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\CSC3=CC=CC=C3C2=O)OC |
Product Overview
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- (CAS 130688-99-2), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-
Property Insights of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-
The XLogP value of 4.0758 indicates that 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (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-((3,4-dimethoxyphenyl)methylene)-, (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-((3,4-dimethoxyphenyl)methylene)-, (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-((3,4-dimethoxyphenyl)methylene)-, (Z)-?
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- is 130688-99-2.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- is C18H16O3S.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- is 312.08 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (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-((3,4-dimethoxyphenyl)methylene)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.