9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-
TL;DR: 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- (CAS 39003-38-8) is a chemical compound with molecular formula C14H7NO7 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-trihydroxy-8-nitroanthracene-9,10-dione
Also Known As: 1,4,5-trihydroxy-8-nitroanthracene-9,10-dione, 1,4,5-Trihydroxy-8-nitro-anthraquinone, BAS 00719971, 1,4,5-Trihydroxy-8-nitroanthraquinone, 1,4,8-Trihydroxy-5-nitroanthraquinone
| Molecular Formula | C14H7NO7 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 1.487 |
| Topological Polar Surface Area | 137.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.02225 |
| Heavy Atoms | 22 |
| Complexity | 885.2455 |
Chemical Identifiers
| CAS Number | 39003-38-8 |
|---|---|
| SMILES | C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)O |
Product Overview
9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- (CAS 39003-38-8), with molecular formula C14H7NO7 and molecular weight 301.02 g/mol. IUPAC: 1,4,5-trihydroxy-8-nitroanthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-
Property Insights of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-
The XLogP value of 1.487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-. The TPSA of 137.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-?
The CAS number of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- is 39003-38-8.
What is the molecular formula of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-?
The molecular formula of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- is C14H7NO7.
What is the molecular weight of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-?
The molecular weight of 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- is 301.02 g/mol.
Where can I buy 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro-?
You can request a quote for 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- 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, 1,4,5-trihydroxy-8-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,4,5-trihydroxy-8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.