BAS 00789083
TL;DR: BAS 00789083 (CAS 333351-46-5) is a chemical compound with molecular formula C25H15N3O4 and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-6-carboxylic acid
Also Known As: BAS 00789083, F1113-0333, (E)-1,3-dioxo-2-(4-(phenyldiazenyl)phenyl)-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid, 1,3-dioxo-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-6-carboxylic acid, 2,4-dioxo-3-{4-[(E)-2-phenyldiazen-1-yl]phenyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-8-carboxylic acid
| Molecular Formula | C25H15N3O4 |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 5.754 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.10626 |
| Heavy Atoms | 32 |
| Complexity | 1405.0532 |
Chemical Identifiers
| CAS Number | 333351-46-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4=C5C(=C(C=C4)C(=O)O)C=CC=C5C3=O |
Product Overview
BAS 00789083 (CAS 333351-46-5), with molecular formula C25H15N3O4 and molecular weight 421.11 g/mol. IUPAC: 1,3-dioxo-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-6-carboxylic acid.
Chemical Property Profile of BAS 00789083
Property Insights of BAS 00789083
The XLogP value of 5.754 indicates that BAS 00789083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00789083. Following Lipinski's Rule of Five, BAS 00789083 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00789083?
The CAS number of BAS 00789083 is 333351-46-5.
What is the molecular formula of BAS 00789083?
The molecular formula of BAS 00789083 is C25H15N3O4.
What is the molecular weight of BAS 00789083?
The molecular weight of BAS 00789083 is 421.11 g/mol.
Where can I buy BAS 00789083?
You can request a quote for BAS 00789083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00789083?
Yes, KEHONG BIO provides custom synthesis services for BAS 00789083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.