DAP1_021419
TL;DR: DAP1_021419 (CAS 6074-60-8) is a chemical compound with molecular formula C36H32N2O8 and molecular weight 620.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(3-ethoxy-4-hydroxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
Also Known As: DAP1_021419, 3-[6-(3-Ethoxy-4-hydroxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]benzoic acid
| Molecular Formula | C36H32N2O8 |
|---|---|
| Molecular Weight | 620.22 g/mol |
| LogP | 4.9244 |
| Topological Polar Surface Area | 141.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 620.2159 |
| Heavy Atoms | 46 |
| Complexity | 1851.3237 |
Chemical Identifiers
| CAS Number | 6074-60-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC=CC(=C7)C(=O)O)O |
Product Overview
DAP1_021419 (CAS 6074-60-8), with molecular formula C36H32N2O8 and molecular weight 620.22 g/mol. IUPAC: 3-[6-(3-ethoxy-4-hydroxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid.
Chemical Property Profile of DAP1_021419
Property Insights of DAP1_021419
The XLogP value of 4.9244 indicates that DAP1_021419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.52 Ų indicates high polarity, suggesting DAP1_021419 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_021419 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_021419?
The CAS number of DAP1_021419 is 6074-60-8.
What is the molecular formula of DAP1_021419?
The molecular formula of DAP1_021419 is C36H32N2O8.
What is the molecular weight of DAP1_021419?
The molecular weight of DAP1_021419 is 620.22 g/mol.
Where can I buy DAP1_021419?
You can request a quote for DAP1_021419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_021419?
Yes, KEHONG BIO provides custom synthesis services for DAP1_021419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.