DAP1_008552
TL;DR: DAP1_008552 (CAS 6061-74-1) is a chemical compound with molecular formula C33H20BrCl2F5N2O6 and molecular weight 783.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_008552, 2-(4-Bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxyphenyl)-8-(pentafluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C33H20BrCl2F5N2O6 |
|---|---|
| Molecular Weight | 783.98 g/mol |
| LogP | 6.6268 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 783.9802 |
| Heavy Atoms | 49 |
| Complexity | 2038.3877 |
Chemical Identifiers
| CAS Number | 6061-74-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)Br |
Product Overview
DAP1_008552 (CAS 6061-74-1), with molecular formula C33H20BrCl2F5N2O6 and molecular weight 783.98 g/mol. IUPAC: 2-(4-bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_008552
Property Insights of DAP1_008552
The XLogP value of 6.6268 indicates that DAP1_008552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_008552. Following Lipinski's Rule of Five, DAP1_008552 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_008552?
The CAS number of DAP1_008552 is 6061-74-1.
What is the molecular formula of DAP1_008552?
The molecular formula of DAP1_008552 is C33H20BrCl2F5N2O6.
What is the molecular weight of DAP1_008552?
The molecular weight of DAP1_008552 is 783.98 g/mol.
Where can I buy DAP1_008552?
You can request a quote for DAP1_008552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_008552?
Yes, KEHONG BIO provides custom synthesis services for DAP1_008552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.