DAP1_013228
TL;DR: DAP1_013228 (CAS 6066-41-7) is a chemical compound with molecular formula C33H26BrClFN3O7 and molecular weight 709.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_013228, 6-(3-Bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C33H26BrClFN3O7 |
|---|---|
| Molecular Weight | 709.06 g/mol |
| LogP | 5.3299 |
| Topological Polar Surface Area | 136.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 709.0627 |
| Heavy Atoms | 46 |
| Complexity | 1852.8099 |
Chemical Identifiers
| CAS Number | 6066-41-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)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)O)Br)O |
Product Overview
DAP1_013228 (CAS 6066-41-7), with molecular formula C33H26BrClFN3O7 and molecular weight 709.06 g/mol. IUPAC: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_013228
Property Insights of DAP1_013228
The XLogP value of 5.3299 indicates that DAP1_013228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.48 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_013228. Following Lipinski's Rule of Five, DAP1_013228 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_013228?
The CAS number of DAP1_013228 is 6066-41-7.
What is the molecular formula of DAP1_013228?
The molecular formula of DAP1_013228 is C33H26BrClFN3O7.
What is the molecular weight of DAP1_013228?
The molecular weight of DAP1_013228 is 709.06 g/mol.
Where can I buy DAP1_013228?
You can request a quote for DAP1_013228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_013228?
Yes, KEHONG BIO provides custom synthesis services for DAP1_013228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.