J1.300.957K
TL;DR: J1.300.957K (CAS 29583-09-3) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: J1.300.957K, (5S)-5-[2-(Methylthio)ethyl]-3-phenyl-2-thioxoimidazolidine-4-one, (S)-5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one, (5S)-5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one, (5S)-5-[2-(methylsulfanyl)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 2.0294 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 421.77362 |
Chemical Identifiers
| CAS Number | 29583-09-3 |
|---|---|
| SMILES | CSCC[C@H]1C(=O)N(C(=S)N1)C2=CC=CC=C2 |
Product Overview
J1.300.957K (CAS 29583-09-3), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: (5S)-5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of J1.300.957K
Property Insights of J1.300.957K
The XLogP value of 2.0294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.300.957K. With a topological polar surface area (TPSA) of 32.34 Ų, J1.300.957K exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.300.957K has 1 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 J1.300.957K?
The CAS number of J1.300.957K is 29583-09-3.
What is the molecular formula of J1.300.957K?
The molecular formula of J1.300.957K is C12H14N2OS2.
What is the molecular weight of J1.300.957K?
The molecular weight of J1.300.957K is 266.05 g/mol.
Where can I buy J1.300.957K?
You can request a quote for J1.300.957K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.300.957K?
Yes, KEHONG BIO provides custom synthesis services for J1.300.957K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.