A3435/0145799
TL;DR: A3435/0145799 (CAS 522652-21-7) is a chemical compound with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,11,11-trimethyl-2,3-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl) 4-nitrobenzoate
Also Known As: A3435/0145799, 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate, 4,4,6-trimethyl-1,2-dioxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-nitrobenzoate
| Molecular Formula | C21H16N2O6 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 3.5388 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.10083 |
| Heavy Atoms | 29 |
| Complexity | 1144.5065 |
Chemical Identifiers
| CAS Number | 522652-21-7 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(=O)C2=O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C)C |
Product Overview
A3435/0145799 (CAS 522652-21-7), with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol. IUPAC: (9,11,11-trimethyl-2,3-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl) 4-nitrobenzoate.
Chemical Property Profile of A3435/0145799
Property Insights of A3435/0145799
The XLogP value of 3.5388 indicates that A3435/0145799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A3435/0145799. Following Lipinski's Rule of Five, A3435/0145799 has 0 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 A3435/0145799?
The CAS number of A3435/0145799 is 522652-21-7.
What is the molecular formula of A3435/0145799?
The molecular formula of A3435/0145799 is C21H16N2O6.
What is the molecular weight of A3435/0145799?
The molecular weight of A3435/0145799 is 392.10 g/mol.
Where can I buy A3435/0145799?
You can request a quote for A3435/0145799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3435/0145799?
Yes, KEHONG BIO provides custom synthesis services for A3435/0145799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.