DAP1_012847
TL;DR: DAP1_012847 (CAS 958100-62-4) is a chemical compound with molecular formula C39H30ClFIN3O6 and molecular weight 817.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxyphenyl)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_012847, (3aS,6R,6aS,9aR,10aS,10bR)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxyphenyl)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
| Molecular Formula | C39H30ClFIN3O6 |
|---|---|
| Molecular Weight | 817.09 g/mol |
| LogP | 6.9874 |
| Topological Polar Surface Area | 116.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 817.0852 |
| Heavy Atoms | 51 |
| Complexity | 2143.6743 |
Chemical Identifiers
| CAS Number | 958100-62-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I |
Product Overview
DAP1_012847 (CAS 958100-62-4), with molecular formula C39H30ClFIN3O6 and molecular weight 817.09 g/mol. IUPAC: 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxyphenyl)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_012847
Property Insights of DAP1_012847
The XLogP value of 6.9874 indicates that DAP1_012847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.25 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_012847. Following Lipinski's Rule of Five, DAP1_012847 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_012847?
The CAS number of DAP1_012847 is 958100-62-4.
What is the molecular formula of DAP1_012847?
The molecular formula of DAP1_012847 is C39H30ClFIN3O6.
What is the molecular weight of DAP1_012847?
The molecular weight of DAP1_012847 is 817.09 g/mol.
Where can I buy DAP1_012847?
You can request a quote for DAP1_012847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_012847?
Yes, KEHONG BIO provides custom synthesis services for DAP1_012847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.