DAP1_005093
TL;DR: DAP1_005093 (CAS 6058-28-2) is a chemical compound with molecular formula C27H20BrCl3N2O5 and molecular weight 635.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(bromomethyl)-6a,9a-dichloro-2-(4-chlorophenyl)-6-(2-hydroxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_005093, 8-(Bromomethyl)-6a,9a-dichloro-2-(4-chlorophenyl)-6-(2-hydroxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C27H20BrCl3N2O5 |
|---|---|
| Molecular Weight | 635.96 g/mol |
| LogP | 4.9614 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 635.9621 |
| Heavy Atoms | 38 |
| Complexity | 1448.4415 |
Chemical Identifiers
| CAS Number | 6058-28-2 |
|---|---|
| SMILES | C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=CC=CC=C4O)Cl)CBr)Cl)C5C1C(=O)N(C5=O)C6=CC=C(C=C6)Cl |
Product Overview
DAP1_005093 (CAS 6058-28-2), with molecular formula C27H20BrCl3N2O5 and molecular weight 635.96 g/mol. IUPAC: 8-(bromomethyl)-6a,9a-dichloro-2-(4-chlorophenyl)-6-(2-hydroxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_005093
Property Insights of DAP1_005093
The XLogP value of 4.9614 indicates that DAP1_005093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_005093. Following Lipinski's Rule of Five, DAP1_005093 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_005093?
The CAS number of DAP1_005093 is 6058-28-2.
What is the molecular formula of DAP1_005093?
The molecular formula of DAP1_005093 is C27H20BrCl3N2O5.
What is the molecular weight of DAP1_005093?
The molecular weight of DAP1_005093 is 635.96 g/mol.
Where can I buy DAP1_005093?
You can request a quote for DAP1_005093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_005093?
Yes, KEHONG BIO provides custom synthesis services for DAP1_005093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.