9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-
TL;DR: 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- (CAS 67905-61-7) is a chemical compound with molecular formula C14H5N3O10 and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione
Also Known As: EINECS 267-682-1, 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-, 1,8-Dihydroxy-2,4,5-trinitroanthraquinone, 1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione, 1,8-Dihydroxy-2,4,5-trinitro-9,10-anthracenedione
| Molecular Formula | C14H5N3O10 |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 1.5978 |
| Topological Polar Surface Area | 204.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.9975 |
| Heavy Atoms | 27 |
| Complexity | 1120.8567 |
Chemical Identifiers
| CAS Number | 67905-61-7 |
|---|---|
| SMILES | C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])O)O |
Product Overview
9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- (CAS 67905-61-7), with molecular formula C14H5N3O10 and molecular weight 375.00 g/mol. IUPAC: 1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-
Property Insights of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-
The XLogP value of 1.5978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-. The TPSA of 204.02 Ų indicates high polarity, suggesting 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- has 2 hydrogen bond donor(s) and 10 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, 1,8-dihydroxy-2,4,5-trinitro-?
The CAS number of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- is 67905-61-7.
What is the molecular formula of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-?
The molecular formula of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- is C14H5N3O10.
What is the molecular weight of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-?
The molecular weight of 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- is 375.00 g/mol.
Where can I buy 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-?
You can request a quote for 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- 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, 1,8-dihydroxy-2,4,5-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.