RefChem:1099949
TL;DR: RefChem:1099949 (CAS 115475-55-3) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10E)-10-[3-(dimethylamino)propylidene]-4H-thieno[2,3-c][1]benzothiepine-8-carbonitrile;oxalic acid
Also Known As: Thieno(2,3-c)(1)benzothiepin-6-carbonitrile, 4,10-dihydro-4-(3-(dimethylamino)propylidene)-, (E)-, ethanedioate (1:1), (10E)-10-[3-(dimethylamino)propylidene]-4H-thieno[2,3-c][1]benzothiepine-8-carbonitrile; oxalic acid
Technical Specifications
| Molecular Formula | C20H20N2O4S2 |
| Molecular Weight | 416.08646 g/mol |
| XLogP | 3.76448 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.08646 Da |
| Heavy Atoms | 28 |
| Complexity | 537.0 |
| SMILES | CN(C)CC/C=C\1/C2=C(CSC3=C1C=C(C=C3)C#N)SC=C2.C(=O)(C(=O)O)O |
| InChIKey | POHRIHDVUVCTKY-CYBPKNTASA-N |
Chemical Property Profile of RefChem:1099949
Property Insights of RefChem:1099949
The XLogP value of 3.76448 indicates that RefChem:1099949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:1099949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1099949 has 2 hydrogen bond donor(s) and 8 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:1099949?
The CAS number of RefChem:1099949 is 115475-55-3.
What is the molecular formula of RefChem:1099949?
The molecular formula of RefChem:1099949 is C20H20N2O4S2.
What is the molecular weight of RefChem:1099949?
The molecular weight of RefChem:1099949 is 416.08646 g/mol.
Where can I buy RefChem:1099949?
You can request a quote for RefChem:1099949 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1099949?
Yes, CoreyChem provides custom synthesis services for RefChem:1099949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.