Emd 41717
TL;DR: Emd 41717 (CAS 86073-87-2) is a chemical compound with molecular formula C16H13N3S2 and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzothiophen-3-ylmethylsulfanyl)-3-methylimidazo[4,5-c]pyridine
Also Known As: Dmpabco, Emd 41717, 3H-Imidazo(4,5-c)pyridine, 4-((benzo(b)thien-3-ylmethyl)thio)-3-methyl-, (4-(1-Benzothiophen-3-yl-methylthio)-3-methyl-3H-imidazo(4,5-c)pyridine), 5-(2',5'-Dimethylphenyl)-6-oxa-1-azabicyclo(3.3.0)octane
| Molecular Formula | C16H13N3S2 |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.05508 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 86073-87-2 |
|---|---|
| SMILES | CN1C=NC2=C1C(=NC=C2)SCC3=CSC4=CC=CC=C43 |
| InChIKey | XLZNELHFDFPOST-UHFFFAOYSA-N |
Product Overview
Emd 41717 (CAS 86073-87-2), with molecular formula C16H13N3S2 and molecular weight 311.06 g/mol. IUPAC: 4-(1-benzothiophen-3-ylmethylsulfanyl)-3-methylimidazo[4,5-c]pyridine.
Chemical Property Profile of Emd 41717
Property Insights of Emd 41717
The XLogP value of 3.7 indicates that Emd 41717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Emd 41717. Following Lipinski's Rule of Five, Emd 41717 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 Emd 41717?
The CAS number of Emd 41717 is 86073-87-2.
What is the molecular formula of Emd 41717?
The molecular formula of Emd 41717 is C16H13N3S2.
What is the molecular weight of Emd 41717?
The molecular weight of Emd 41717 is 311.06 g/mol.
Where can I buy Emd 41717?
You can request a quote for Emd 41717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 41717?
Yes, KEHONG BIO provides custom synthesis services for Emd 41717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.