9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-
TL;DR: 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- (CAS 12222-79-6) is a chemical compound with molecular formula C14H9BrN2O4 and molecular weight 347.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diamino-2-bromo-4,5-dihydroxyanthracene-9,10-dione
Also Known As: dianix blue gr-e, Disperse Blue 81, palanil blue rt, samaron blue rl, Modr Ostacetova LG
| Molecular Formula | C14H9BrN2O4 |
|---|---|
| Molecular Weight | 347.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 347.97458 |
| Heavy Atoms | 21 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 12222-79-6 |
|---|---|
| SMILES | C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=CC(=C3N)Br)O)O |
| InChIKey | SBSBBPZTTALABX-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- (CAS 12222-79-6), with molecular formula C14H9BrN2O4 and molecular weight 347.97 g/mol. IUPAC: 1,8-diamino-2-bromo-4,5-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-
Property Insights of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- has 4 hydrogen bond donor(s) and 6 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-diaminobromo-4,5-dihydroxy-?
The CAS number of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- is 12222-79-6.
What is the molecular formula of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-?
The molecular formula of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- is C14H9BrN2O4.
What is the molecular weight of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-?
The molecular weight of 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- is 347.97 g/mol.
Where can I buy 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-?
You can request a quote for 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- 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-diaminobromo-4,5-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.