BAS 00789079
TL;DR: BAS 00789079 (CAS 301337-21-3) is a chemical compound with molecular formula C20H13NO5 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Also Known As: BAS 00789079, 2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid, 2-(2-methoxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid, 2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
| Molecular Formula | C20H13NO5 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.07938 |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 301337-21-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O |
| InChIKey | DISVWDVTSGSKRN-UHFFFAOYSA-N |
Product Overview
BAS 00789079 (CAS 301337-21-3), with molecular formula C20H13NO5 and molecular weight 347.08 g/mol. IUPAC: 2-(2-methoxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.
Chemical Property Profile of BAS 00789079
Property Insights of BAS 00789079
The XLogP value of 3.2 indicates that BAS 00789079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00789079. Following Lipinski's Rule of Five, BAS 00789079 has 1 hydrogen bond donor(s) and 5 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 00789079?
The CAS number of BAS 00789079 is 301337-21-3.
What is the molecular formula of BAS 00789079?
The molecular formula of BAS 00789079 is C20H13NO5.
What is the molecular weight of BAS 00789079?
The molecular weight of BAS 00789079 is 347.08 g/mol.
Where can I buy BAS 00789079?
You can request a quote for BAS 00789079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00789079?
Yes, KEHONG BIO provides custom synthesis services for BAS 00789079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.