RefChem:1071828
TL;DR: RefChem:1071828 (CAS 130688-93-6) 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.
(3E)-3-[(4-methoxyphenyl)methylidene]-6-methylsulfanylchromen-4-one
Also Known As: (E)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-6-(methylthio)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-6-(methylthio)-, (E)-, (3E)-3-[(4-methoxyphenyl)methylene]-6-methylsulfanyl-chroman-4-one, (3E)-3-[(4-methoxyphenyl)methylidene]-6-methylsulfanylchromen-4-one, 4H-1-benzopyran-4-one, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-6-(methylthio)-, (3E)-
| 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 | 732.49756 |
Chemical Identifiers
| CAS Number | 130688-93-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=C(C=C3)SC |
Product Overview
RefChem:1071828 (CAS 130688-93-6), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: (3E)-3-[(4-methoxyphenyl)methylidene]-6-methylsulfanylchromen-4-one.
Chemical Property Profile of RefChem:1071828
Property Insights of RefChem:1071828
The XLogP value of 4.0758 indicates that RefChem:1071828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, RefChem:1071828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071828 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 RefChem:1071828?
The CAS number of RefChem:1071828 is 130688-93-6.
What is the molecular formula of RefChem:1071828?
The molecular formula of RefChem:1071828 is C18H16O3S.
What is the molecular weight of RefChem:1071828?
The molecular weight of RefChem:1071828 is 312.08 g/mol.
Where can I buy RefChem:1071828?
You can request a quote for RefChem:1071828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.