Emd 39593
TL;DR: Emd 39593 (CAS 92472-70-3) is a chemical compound with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methylsulfanyl]-1-methylimidazo[4,5-c]pyridine
Also Known As: Emd 39593, Et2-OAACA, (4-(2-Chlorobenzylthio)-1-methyl-1H-imidazo(4,5-c)pyridine), N,N-Diethyl-3-oxo-4-azaandrost-1-ene-17-carboxamide, 4-o-chloro-benzylthio-1-methyl-1H-imidazo(4,5-c)pyridine
| Molecular Formula | C14H12ClN3S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.04404 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 92472-70-3 |
|---|---|
| SMILES | CN1C=NC2=C1C=CN=C2SCC3=CC=CC=C3Cl |
| InChIKey | GEUKKBSCHDHICQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emd 39593 (CAS 92472-70-3), with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol. IUPAC: 4-[(2-chlorophenyl)methylsulfanyl]-1-methylimidazo[4,5-c]pyridine.
Chemical Property Profile of Emd 39593
Property Insights of Emd 39593
The XLogP value of 3.3 indicates that Emd 39593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.0 Ų, Emd 39593 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emd 39593 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 Emd 39593?
The CAS number of Emd 39593 is 92472-70-3.
What is the molecular formula of Emd 39593?
The molecular formula of Emd 39593 is C14H12ClN3S.
What is the molecular weight of Emd 39593?
The molecular weight of Emd 39593 is 289.04 g/mol.
Where can I buy Emd 39593?
You can request a quote for Emd 39593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 39593?
Yes, KEHONG BIO provides custom synthesis services for Emd 39593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.