BAS 05590281
TL;DR: BAS 05590281 (CAS 522652-19-3) is a chemical compound with molecular formula C21H16FNO4 and molecular weight 365.11 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-fluorobenzoate
Also Known As: BAS 05590281, 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate, A3435/0145797, 4,4,6-trimethyl-1,2-dioxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate, Benzoic acid, 4-fluoro-, 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl ester
| Molecular Formula | C21H16FNO4 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 3.7697 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.10632 |
| Heavy Atoms | 27 |
| Complexity | 1050.5964 |
Chemical Identifiers
| CAS Number | 522652-19-3 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(=O)C2=O)OC(=O)C4=CC=C(C=C4)F)(C)C |
Product Overview
BAS 05590281 (CAS 522652-19-3), with molecular formula C21H16FNO4 and molecular weight 365.11 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-fluorobenzoate.
Chemical Property Profile of BAS 05590281
Property Insights of BAS 05590281
The XLogP value of 3.7697 indicates that BAS 05590281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05590281. Following Lipinski's Rule of Five, BAS 05590281 has 0 hydrogen bond donor(s) and 4 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 BAS 05590281?
The CAS number of BAS 05590281 is 522652-19-3.
What is the molecular formula of BAS 05590281?
The molecular formula of BAS 05590281 is C21H16FNO4.
What is the molecular weight of BAS 05590281?
The molecular weight of BAS 05590281 is 365.11 g/mol.
Where can I buy BAS 05590281?
You can request a quote for BAS 05590281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05590281?
Yes, KEHONG BIO provides custom synthesis services for BAS 05590281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.