RefChem:305138
TL;DR: RefChem:305138 (CAS 115091-91-3) is a chemical compound with molecular formula C21H15ClN2O2S and molecular weight 394.0543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-chloro-2-methoxy-4-(2-methoxyphenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Also Known As: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(2-methoxyphenyl)-, 9-Chloro-2-methoxy-4-(2-methoxyphenyl)-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(2-methoxyphenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile, 9-Chloro-2-methoxy-4-(2-methoxyphenyl)-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile, 9-Chloro-2-methoxy-4-[2-methoxyphenyl]-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C21H15ClN2O2S |
| Molecular Weight | 394.0543 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.0543 Da |
| Heavy Atoms | 27 |
| Complexity | 570.0 |
| SMILES | COC1=CC=CC=C1C2=C3CSC4=C(C3=NC(=C2C#N)OC)C=C(C=C4)Cl |
| InChIKey | DJEGVKQKRUHCKN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305138
Property Insights of RefChem:305138
The XLogP value of 4.8 indicates that RefChem:305138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305138. Following Lipinski's Rule of Five, RefChem:305138 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:305138?
The CAS number of RefChem:305138 is 115091-91-3.
What is the molecular formula of RefChem:305138?
The molecular formula of RefChem:305138 is C21H15ClN2O2S.
What is the molecular weight of RefChem:305138?
The molecular weight of RefChem:305138 is 394.0543 g/mol.
Where can I buy RefChem:305138?
You can request a quote for RefChem:305138 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305138?
Yes, CoreyChem provides custom synthesis services for RefChem:305138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.