DAP1_019582
TL;DR: DAP1_019582 (CAS 6072-77-1) is a chemical compound with molecular formula C33H26ClN3O7 and molecular weight 611.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chloro-2-hydroxyphenyl)-6a-methyl-2-(3-nitrophenyl)-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_019582, 6-(5-Chloro-2-hydroxyphenyl)-6a-methyl-2-(3-nitrophenyl)-8-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C33H26ClN3O7 |
|---|---|
| Molecular Weight | 611.15 g/mol |
| LogP | 5.3891 |
| Topological Polar Surface Area | 138.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 611.14594 |
| Heavy Atoms | 44 |
| Complexity | 1824.6981 |
Chemical Identifiers
| CAS Number | 6072-77-1 |
|---|---|
| SMILES | CC12C(CC3C4C(CC=C3C1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7 |
Product Overview
DAP1_019582 (CAS 6072-77-1), with molecular formula C33H26ClN3O7 and molecular weight 611.15 g/mol. IUPAC: 6-(5-chloro-2-hydroxyphenyl)-6a-methyl-2-(3-nitrophenyl)-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_019582
Property Insights of DAP1_019582
The XLogP value of 5.3891 indicates that DAP1_019582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.13 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_019582. Following Lipinski's Rule of Five, DAP1_019582 has 1 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_019582?
The CAS number of DAP1_019582 is 6072-77-1.
What is the molecular formula of DAP1_019582?
The molecular formula of DAP1_019582 is C33H26ClN3O7.
What is the molecular weight of DAP1_019582?
The molecular weight of DAP1_019582 is 611.15 g/mol.
Where can I buy DAP1_019582?
You can request a quote for DAP1_019582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_019582?
Yes, KEHONG BIO provides custom synthesis services for DAP1_019582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.