BAS 04379969
TL;DR: BAS 04379969 (CAS 110768-13-3) is a chemical compound with molecular formula C16H8F3NO4 and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoindole-5-carboxylic acid
Also Known As: BAS 04379969, 1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid, 1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoindole-5-carboxylic acid, 1,3-dioxo-2-(2-(trifluoromethyl)phenyl)isoindoline-5-carboxylic acid
| Molecular Formula | C16H8F3NO4 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.04053 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 110768-13-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | LUKYKPAINCDVNZ-UHFFFAOYSA-N |
Product Overview
BAS 04379969 (CAS 110768-13-3), with molecular formula C16H8F3NO4 and molecular weight 335.04 g/mol. IUPAC: 1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoindole-5-carboxylic acid.
Chemical Property Profile of BAS 04379969
Property Insights of BAS 04379969
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04379969. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04379969. Following Lipinski's Rule of Five, BAS 04379969 has 1 hydrogen bond donor(s) and 7 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 04379969?
The CAS number of BAS 04379969 is 110768-13-3.
What is the molecular formula of BAS 04379969?
The molecular formula of BAS 04379969 is C16H8F3NO4.
What is the molecular weight of BAS 04379969?
The molecular weight of BAS 04379969 is 335.04 g/mol.
Where can I buy BAS 04379969?
You can request a quote for BAS 04379969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04379969?
Yes, KEHONG BIO provides custom synthesis services for BAS 04379969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.