1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone
TL;DR: 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone (CAS 18039-04-8) is a chemical compound with molecular formula C26H18N2O2S2 and molecular weight 454.08096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diamino-2,3-bis(phenylsulfanyl)anthracene-9,10-dione
Also Known As: ChemDiv1_000094, BAS 01121599, 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone, 1,4-Diamino-2,3-bis(phenylthio)-9,10-anthracenedione, 1,4-diamino-2,3-bis(phenylsulfanyl)anthracene-9,10-dione
Technical Specifications
| Molecular Formula | C26H18N2O2S2 |
| Molecular Weight | 454.08096 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.08096 Da |
| Heavy Atoms | 32 |
| Complexity | 633.0 |
| SMILES | C1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O)N |
| InChIKey | LSAVWOJOLBIJGU-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone
Property Insights of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone
The XLogP value of 6.7 indicates that 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone. Following Lipinski's Rule of Five, 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone?
The CAS number of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone is 18039-04-8.
What is the molecular formula of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone?
The molecular formula of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone is C26H18N2O2S2.
What is the molecular weight of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone?
The molecular weight of 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone is 454.08096 g/mol.
Where can I buy 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone?
You can request a quote for 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone?
Yes, CoreyChem provides custom synthesis services for 1,4-Diamino-2,3-bis-phenylsulfanyl-anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.