DAP1_017097
TL;DR: DAP1_017097 (CAS 6070-28-6) is a chemical compound with molecular formula C45H33F6N3O5 and molecular weight 809.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-hydroxynaphthalen-1-yl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_017097, 2-[3,5-Bis(trifluoromethyl)phenyl]-6-(4-hydroxynaphthalen-1-yl)-8-(4-methylanilino)-6a-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C45H33F6N3O5 |
|---|---|
| Molecular Weight | 809.23 g/mol |
| LogP | 9.08092 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 809.2324 |
| Heavy Atoms | 59 |
| Complexity | 2593.1223 |
Chemical Identifiers
| CAS Number | 6070-28-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C5=O)C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F |
Product Overview
DAP1_017097 (CAS 6070-28-6), with molecular formula C45H33F6N3O5 and molecular weight 809.23 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-hydroxynaphthalen-1-yl)-8-(4-methylanilino)-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_017097
Property Insights of DAP1_017097
The XLogP value of 9.08092 indicates that DAP1_017097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.02 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_017097. Following Lipinski's Rule of Five, DAP1_017097 has 2 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_017097?
The CAS number of DAP1_017097 is 6070-28-6.
What is the molecular formula of DAP1_017097?
The molecular formula of DAP1_017097 is C45H33F6N3O5.
What is the molecular weight of DAP1_017097?
The molecular weight of DAP1_017097 is 809.23 g/mol.
Where can I buy DAP1_017097?
You can request a quote for DAP1_017097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_017097?
Yes, KEHONG BIO provides custom synthesis services for DAP1_017097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.