![3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one structure](/static/products/784/78440-59-2.png)
3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one
TL;DR: 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one (CAS 78440-59-2) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanylchromen-2-one
Also Known As: 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one, 3-(4-methylphenyl)sulfanylchromen-2-one, 3-(4-methylphenylthio)chromen-2-one, 3-(p-Tolylthio)-2H-1-benzopyran-2-one, AB01323175-02
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.25262 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 772.60596 |
Chemical Identifiers
| CAS Number | 78440-59-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC3=CC=CC=C3OC2=O |
Product Overview
3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one (CAS 78440-59-2), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylchromen-2-one.
Chemical Property Profile of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one
Property Insights of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one
The XLogP value of 4.25262 indicates that 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-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 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one?
The CAS number of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one is 78440-59-2.
What is the molecular formula of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one?
The molecular formula of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one is C16H12O2S.
What is the molecular weight of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one?
The molecular weight of 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one is 268.06 g/mol.
Where can I buy 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one?
You can request a quote for 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenyl)sulfanyl]-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.