J2.003.615J
TL;DR: J2.003.615J (CAS 29866-41-9) is a chemical compound with molecular formula C13H14O2S2 and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(methylsulfanyl)methylidene]-1-phenylbutane-1,3-dione
Also Known As: J2.003.615J, 2-[bis(methylsulfanyl)methylidene]-1-phenylbutane-1,3-dione, 1-Phenyl-2-[bis(methylthio)methylene]-1,3-butanedione, 2-(dimethylthiomethylene)-1-phenylbutane-1,3-dione, 1,3-Butanedione, 2-[bis(methylthio)methylene]-1-phenyl-
| Molecular Formula | C13H14O2S2 |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.04352 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 29866-41-9 |
|---|---|
| SMILES | CC(=O)C(=C(SC)SC)C(=O)C1=CC=CC=C1 |
| InChIKey | PBPOHPHKRJNISY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J2.003.615J (CAS 29866-41-9), with molecular formula C13H14O2S2 and molecular weight 266.04 g/mol. IUPAC: 2-[bis(methylsulfanyl)methylidene]-1-phenylbutane-1,3-dione.
Chemical Property Profile of J2.003.615J
Property Insights of J2.003.615J
The XLogP value of 3.0 indicates that J2.003.615J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.003.615J. Following Lipinski's Rule of Five, J2.003.615J 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 J2.003.615J?
The CAS number of J2.003.615J is 29866-41-9.
What is the molecular formula of J2.003.615J?
The molecular formula of J2.003.615J is C13H14O2S2.
What is the molecular weight of J2.003.615J?
The molecular weight of J2.003.615J is 266.04 g/mol.
Where can I buy J2.003.615J?
You can request a quote for J2.003.615J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.003.615J?
Yes, KEHONG BIO provides custom synthesis services for J2.003.615J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.