DAP1_014720
TL;DR: DAP1_014720 (CAS 6067-90-9) is a chemical compound with molecular formula C40H31BrClN5O9 and molecular weight 839.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_014720, 6-(5-Bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C40H31BrClN5O9 |
|---|---|
| Molecular Weight | 839.10 g/mol |
| LogP | 7.0575 |
| Topological Polar Surface Area | 184.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 839.09937 |
| Heavy Atoms | 56 |
| Complexity | 2424.2036 |
Chemical Identifiers
| CAS Number | 6067-90-9 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)[N+](=O)[O-] |
Product Overview
DAP1_014720 (CAS 6067-90-9), with molecular formula C40H31BrClN5O9 and molecular weight 839.10 g/mol. IUPAC: 6-(5-bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_014720
Property Insights of DAP1_014720
The XLogP value of 7.0575 indicates that DAP1_014720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.51 Ų indicates high polarity, suggesting DAP1_014720 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_014720 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_014720?
The CAS number of DAP1_014720 is 6067-90-9.
What is the molecular formula of DAP1_014720?
The molecular formula of DAP1_014720 is C40H31BrClN5O9.
What is the molecular weight of DAP1_014720?
The molecular weight of DAP1_014720 is 839.10 g/mol.
Where can I buy DAP1_014720?
You can request a quote for DAP1_014720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_014720?
Yes, KEHONG BIO provides custom synthesis services for DAP1_014720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.