J1.046.708J
TL;DR: J1.046.708J (CAS 1861-48-9) is a chemical compound with molecular formula C11H11BrO2S2 and molecular weight 317.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
Also Known As: J1.046.708J, S-[2-(4-bromophenyl)-2-oxoethyl] O-ethyl carbonodithioate, alpha-(Ethoxycarbonothioylthio)-4'-bromoacetophenone, alpha-(Ethoxycarbonothioylthio)-4 -bromoacetophenone, 1-(4-Bromophenyl)-2-ethoxycarbothioylsulfanyl-ethanone
| Molecular Formula | C11H11BrO2S2 |
|---|---|
| Molecular Weight | 317.94 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.9384 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1861-48-9 |
|---|---|
| SMILES | CCOC(=S)SCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | WCILALVNENAVPA-UHFFFAOYSA-N |
Product Overview
J1.046.708J (CAS 1861-48-9), with molecular formula C11H11BrO2S2 and molecular weight 317.94 g/mol. IUPAC: O-ethyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of J1.046.708J
Property Insights of J1.046.708J
The XLogP value of 4.1 indicates that J1.046.708J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.046.708J. Following Lipinski's Rule of Five, J1.046.708J 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 J1.046.708J?
The CAS number of J1.046.708J is 1861-48-9.
What is the molecular formula of J1.046.708J?
The molecular formula of J1.046.708J is C11H11BrO2S2.
What is the molecular weight of J1.046.708J?
The molecular weight of J1.046.708J is 317.94 g/mol.
Where can I buy J1.046.708J?
You can request a quote for J1.046.708J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.046.708J?
Yes, KEHONG BIO provides custom synthesis services for J1.046.708J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.