DAP1_025284
TL;DR: DAP1_025284 (CAS 6078-47-3) is a chemical compound with molecular formula C31H22BrF3N4O10 and molecular weight 746.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
Also Known As: DAP1_025284, 9-bromo-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone, 9-Bromo-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone
| Molecular Formula | C31H22BrF3N4O10 |
|---|---|
| Molecular Weight | 746.05 g/mol |
| LogP | 5.1398 |
| Topological Polar Surface Area | 190.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 746.0471 |
| Heavy Atoms | 49 |
| Complexity | 1986.4254 |
Chemical Identifiers
| CAS Number | 6078-47-3 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5=C(C4C6=C(C=CC(=C6)OC(F)(F)F)O)C(=O)C=C(C5=O)Br)[N+](=O)[O-] |
Product Overview
DAP1_025284 (CAS 6078-47-3), with molecular formula C31H22BrF3N4O10 and molecular weight 746.05 g/mol. IUPAC: 9-bromo-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone.
Chemical Property Profile of DAP1_025284
Property Insights of DAP1_025284
The XLogP value of 5.1398 indicates that DAP1_025284 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.5 Ų indicates high polarity, suggesting DAP1_025284 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_025284 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_025284?
The CAS number of DAP1_025284 is 6078-47-3.
What is the molecular formula of DAP1_025284?
The molecular formula of DAP1_025284 is C31H22BrF3N4O10.
What is the molecular weight of DAP1_025284?
The molecular weight of DAP1_025284 is 746.05 g/mol.
Where can I buy DAP1_025284?
You can request a quote for DAP1_025284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_025284?
Yes, KEHONG BIO provides custom synthesis services for DAP1_025284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.