![4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl structure](/static/products/496/49675-95-8.png)
4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl
TL;DR: 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl (CAS 49675-95-8) is a chemical compound with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate
Also Known As: 4-{[(methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl, O-methyl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate
| Molecular Formula | C16H14O2S2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 4.2008 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.04352 |
| Heavy Atoms | 20 |
| Complexity | 591.6337 |
Chemical Identifiers
| CAS Number | 49675-95-8 |
|---|---|
| SMILES | COC(=S)SCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
Product Overview
4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl (CAS 49675-95-8), with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol. IUPAC: O-methyl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate.
Chemical Property Profile of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl
Property Insights of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl
The XLogP value of 4.2008 indicates that 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl 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 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl?
The CAS number of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl is 49675-95-8.
What is the molecular formula of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl?
The molecular formula of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl is C16H14O2S2.
What is the molecular weight of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl?
The molecular weight of 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl is 302.04 g/mol.
Where can I buy 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl?
You can request a quote for 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Methoxycarbothioyl)sulfanyl]acetyl}-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.