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1,6-diamino-7H-benz[de]anthracen-7-one
TL;DR: 1,6-diamino-7H-benz[de]anthracen-7-one (CAS 56600-56-7) is a chemical compound with molecular formula C17H12N2O and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-diaminobenzo[a]phenalen-7-one
Also Known As: 1,6-Diamino-7H-benz(de)anthracen-7-one, 1,6-diamino-7H-benz[de]anthracen-7-one, 1,6-diaminobenzo[a]phenalen-7-one, 7H-Benz[de]anthracen-7-one,1,6-diamino-, 1,6-Diamino-7H-benzo[de]anthracen-7-one
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.09497 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 56600-56-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC4=C3C(=C(C=C4)N)C2=O)N |
| InChIKey | BRSFNKPRNHRKAT-UHFFFAOYSA-N |
Product Overview
1,6-diamino-7H-benz[de]anthracen-7-one (CAS 56600-56-7), with molecular formula C17H12N2O and molecular weight 260.09 g/mol. IUPAC: 1,6-diaminobenzo[a]phenalen-7-one.
Chemical Property Profile of 1,6-diamino-7H-benz[de]anthracen-7-one
Property Insights of 1,6-diamino-7H-benz[de]anthracen-7-one
The XLogP value of 3.5 indicates that 1,6-diamino-7H-benz[de]anthracen-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-diamino-7H-benz[de]anthracen-7-one. Following Lipinski's Rule of Five, 1,6-diamino-7H-benz[de]anthracen-7-one has 2 hydrogen bond donor(s) and 3 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 1,6-diamino-7H-benz[de]anthracen-7-one?
The CAS number of 1,6-diamino-7H-benz[de]anthracen-7-one is 56600-56-7.
What is the molecular formula of 1,6-diamino-7H-benz[de]anthracen-7-one?
The molecular formula of 1,6-diamino-7H-benz[de]anthracen-7-one is C17H12N2O.
What is the molecular weight of 1,6-diamino-7H-benz[de]anthracen-7-one?
The molecular weight of 1,6-diamino-7H-benz[de]anthracen-7-one is 260.09 g/mol.
Where can I buy 1,6-diamino-7H-benz[de]anthracen-7-one?
You can request a quote for 1,6-diamino-7H-benz[de]anthracen-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-diamino-7H-benz[de]anthracen-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1,6-diamino-7H-benz[de]anthracen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.