DAP1_005515
TL;DR: DAP1_005515 (CAS 6058-70-4) is a chemical compound with molecular formula C31H25Cl2F5N2O6 and molecular weight 686.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6a,9a-dichloro-6-(2-hydroxy-3-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_005515, 2-tert-Butyl-6a,9a-dichloro-6-(2-hydroxy-3-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 | C31H25Cl2F5N2O6 |
|---|---|
| Molecular Weight | 686.10 g/mol |
| LogP | 5.4582 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 686.101 |
| Heavy Atoms | 46 |
| Complexity | 1784.9636 |
Chemical Identifiers
| CAS Number | 6058-70-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2CC=C3C(C2C1=O)CC4(C(=O)N(C(=O)C4(C3C5=C(C(=CC=C5)OC)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl |
Product Overview
DAP1_005515 (CAS 6058-70-4), with molecular formula C31H25Cl2F5N2O6 and molecular weight 686.10 g/mol. IUPAC: 2-tert-butyl-6a,9a-dichloro-6-(2-hydroxy-3-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_005515
Property Insights of DAP1_005515
The XLogP value of 5.4582 indicates that DAP1_005515 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_005515. Following Lipinski's Rule of Five, DAP1_005515 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_005515?
The CAS number of DAP1_005515 is 6058-70-4.
What is the molecular formula of DAP1_005515?
The molecular formula of DAP1_005515 is C31H25Cl2F5N2O6.
What is the molecular weight of DAP1_005515?
The molecular weight of DAP1_005515 is 686.10 g/mol.
Where can I buy DAP1_005515?
You can request a quote for DAP1_005515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_005515?
Yes, KEHONG BIO provides custom synthesis services for DAP1_005515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.