1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride
TL;DR: 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride (CAS 37971-99-6) is a chemical compound with molecular formula C21H26Cl2N2O3 and molecular weight 424.13205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[7-[2-(dimethylazaniumyl)acetyl]-9H-xanthen-2-yl]-2-oxoethyl]-dimethylazanium dichloride
Also Known As: RMI 11513 DA, Methylmercapto-4-acetylaminostilbene, C21-H24-N2-O3.2Cl-H.3/2H2-O, 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride sesquihydrate, Ethanone, 1,1'-(9H-xanthene-2,7-diyl)bis(2-(dimethylamino)-, dihydrochloride, sesquihydrate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H26Cl2N2O3 |
| Molecular Weight | 424.13205 g/mol |
| XLogP | -5.95 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.13205 Da |
| Heavy Atoms | 28 |
| Complexity | 475.0 |
| SMILES | C[NH+](C)CC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)C[NH+](C)C.[Cl-].[Cl-] |
| InChIKey | KDTTYYSNCRIKOI-UHFFFAOYSA-N |
Chemical Property Profile of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride
Property Insights of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride
The XLogP value of -5.95 indicates that 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride has 2 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 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride?
The CAS number of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride is 37971-99-6.
What is the molecular formula of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride?
The molecular formula of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride is C21H26Cl2N2O3.
What is the molecular weight of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride?
The molecular weight of 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride is 424.13205 g/mol.
Where can I buy 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride?
You can request a quote for 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.