9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-
TL;DR: 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- (CAS 52591-25-0) is a chemical compound with molecular formula C30H16N4O5 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione
Also Known As: Vat Red 31, Vat Red F3B, C.I.Vat Red 31, c.i. vat red 31), C.I.VatRed31
| Molecular Formula | C30H16N4O5 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 512.11206 |
| Heavy Atoms | 39 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 52591-25-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N |
| InChIKey | HFLBGLHPZPFPAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- (CAS 52591-25-0), with molecular formula C30H16N4O5 and molecular weight 512.11 g/mol. IUPAC: 1-amino-2-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-
Property Insights of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-
The XLogP value of 4.7 indicates that 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-?
The CAS number of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- is 52591-25-0.
What is the molecular formula of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-?
The molecular formula of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- is C30H16N4O5.
What is the molecular weight of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-?
The molecular weight of 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- is 512.11 g/mol.
Where can I buy 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-?
You can request a quote for 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.