DAP1_016859
TL;DR: DAP1_016859 (CAS 6070-04-8) is a chemical compound with molecular formula C41H33ClN2O8 and molecular weight 716.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
Also Known As: DAP1_016859, 3-[8-(3-Chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]benzoic acid
| Molecular Formula | C41H33ClN2O8 |
|---|---|
| Molecular Weight | 716.19 g/mol |
| LogP | 5.7763 |
| Topological Polar Surface Area | 141.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 716.19257 |
| Heavy Atoms | 52 |
| Complexity | 2185.9587 |
Chemical Identifiers
| CAS Number | 6070-04-8 |
|---|---|
| SMILES | C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=CC=CC=C4OCCO)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)C7C1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O |
Product Overview
DAP1_016859 (CAS 6070-04-8), with molecular formula C41H33ClN2O8 and molecular weight 716.19 g/mol. IUPAC: 3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid.
Chemical Property Profile of DAP1_016859
Property Insights of DAP1_016859
The XLogP value of 5.7763 indicates that DAP1_016859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.52 Ų indicates high polarity, suggesting DAP1_016859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_016859 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_016859?
The CAS number of DAP1_016859 is 6070-04-8.
What is the molecular formula of DAP1_016859?
The molecular formula of DAP1_016859 is C41H33ClN2O8.
What is the molecular weight of DAP1_016859?
The molecular weight of DAP1_016859 is 716.19 g/mol.
Where can I buy DAP1_016859?
You can request a quote for DAP1_016859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_016859?
Yes, KEHONG BIO provides custom synthesis services for DAP1_016859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.