DAP1_012719
TL;DR: DAP1_012719 (CAS 957909-07-8) is a chemical compound with molecular formula C34H27Cl2F3N4O5 and molecular weight 698.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-(4-hydroxy-3-methylphenyl)-2-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_012719, (3aS,6R,6aS,9aR,10aS,10bR)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-6-(4-hydroxy-3-methylphenyl)-2-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
| Molecular Formula | C34H27Cl2F3N4O5 |
|---|---|
| Molecular Weight | 698.13 g/mol |
| LogP | 6.03592 |
| Topological Polar Surface Area | 119.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 698.13104 |
| Heavy Atoms | 48 |
| Complexity | 1951.4576 |
Chemical Identifiers
| CAS Number | 957909-07-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C)O |
Product Overview
DAP1_012719 (CAS 957909-07-8), with molecular formula C34H27Cl2F3N4O5 and molecular weight 698.13 g/mol. IUPAC: 6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-(4-hydroxy-3-methylphenyl)-2-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_012719
Property Insights of DAP1_012719
The XLogP value of 6.03592 indicates that DAP1_012719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.91 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_012719. Following Lipinski's Rule of Five, DAP1_012719 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_012719?
The CAS number of DAP1_012719 is 957909-07-8.
What is the molecular formula of DAP1_012719?
The molecular formula of DAP1_012719 is C34H27Cl2F3N4O5.
What is the molecular weight of DAP1_012719?
The molecular weight of DAP1_012719 is 698.13 g/mol.
Where can I buy DAP1_012719?
You can request a quote for DAP1_012719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_012719?
Yes, KEHONG BIO provides custom synthesis services for DAP1_012719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.