DAP1_010729
TL;DR: DAP1_010729 (CAS 6063-91-8) is a chemical compound with molecular formula C31H22BrCl2N3O7 and molecular weight 697.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(bromomethyl)-6a,9a-dichloro-6-(1-hydroxynaphthalen-2-yl)-2-(4-nitrophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_010729, 8-(Bromomethyl)-6a,9a-dichloro-6-(1-hydroxynaphthalen-2-yl)-2-(4-nitrophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C31H22BrCl2N3O7 |
|---|---|
| Molecular Weight | 697.00 g/mol |
| LogP | 5.3694 |
| Topological Polar Surface Area | 138.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 697.00183 |
| Heavy Atoms | 44 |
| Complexity | 1866.4282 |
Chemical Identifiers
| CAS Number | 6063-91-8 |
|---|---|
| SMILES | C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=C(C5=CC=CC=C5C=C4)O)Cl)CBr)Cl)C6C1C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-] |
Product Overview
DAP1_010729 (CAS 6063-91-8), with molecular formula C31H22BrCl2N3O7 and molecular weight 697.00 g/mol. IUPAC: 8-(bromomethyl)-6a,9a-dichloro-6-(1-hydroxynaphthalen-2-yl)-2-(4-nitrophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_010729
Property Insights of DAP1_010729
The XLogP value of 5.3694 indicates that DAP1_010729 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_010729. Following Lipinski's Rule of Five, DAP1_010729 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_010729?
The CAS number of DAP1_010729 is 6063-91-8.
What is the molecular formula of DAP1_010729?
The molecular formula of DAP1_010729 is C31H22BrCl2N3O7.
What is the molecular weight of DAP1_010729?
The molecular weight of DAP1_010729 is 697.00 g/mol.
Where can I buy DAP1_010729?
You can request a quote for DAP1_010729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_010729?
Yes, KEHONG BIO provides custom synthesis services for DAP1_010729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.