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Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one
TL;DR: Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one (CAS 1110-48-1) is a chemical compound with molecular formula C31H16IN3O7 and molecular weight 669.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one
Also Known As: benzo[a]anthracene,4-iodo-2,5,7-trinitrofluoren-9-one, benzo[a]anthracene; 4-iodo-2,5,7-trinitrofluoren-9-one, benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one, 4-Iodo-2,5,7-trinitro-9H-fluoren-9-one--tetraphene (1/1)
| Molecular Formula | C31H16IN3O7 |
|---|---|
| Molecular Weight | 669.00 g/mol |
| LogP | 8.3734 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 669.0033 |
| Heavy Atoms | 42 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 1110-48-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32.C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])I)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QIMXLNLOIXZDTK-UHFFFAOYSA-N |
Product Overview
Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one (CAS 1110-48-1), with molecular formula C31H16IN3O7 and molecular weight 669.00 g/mol. IUPAC: benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one.
Chemical Property Profile of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one
Property Insights of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one
The XLogP value of 8.3734 indicates that Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one?
The CAS number of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one is 1110-48-1.
What is the molecular formula of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one?
The molecular formula of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one is C31H16IN3O7.
What is the molecular weight of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one?
The molecular weight of Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one is 669.00 g/mol.
Where can I buy Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one?
You can request a quote for Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for Benzo[a]anthracene;4-iodo-2,5,7-trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.