DAP1_004761
TL;DR: DAP1_004761 (CAS 6057-95-0) is a chemical compound with molecular formula C33H24BrN3O6 and molecular weight 637.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(2-hydroxy-4-phenylmethoxyphenyl)-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),5-triene-4,7,12,14-tetrone
Also Known As: DAP1_004761, 7-[4-(Benzyloxy)-2-hydroxyphenyl]-10-bromo-2-phenyl-5,7,12,12a-tetrahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnoline-1,3,8,11(2H)-tetrone
| Molecular Formula | C33H24BrN3O6 |
|---|---|
| Molecular Weight | 637.08 g/mol |
| LogP | 4.4811 |
| Topological Polar Surface Area | 112.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 637.08484 |
| Heavy Atoms | 43 |
| Complexity | 2031.8889 |
Chemical Identifiers
| CAS Number | 6057-95-0 |
|---|---|
| SMILES | C1C=C2C(CC3=C(C2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)C=C(C3=O)Br)N6N1C(=O)N(C6=O)C7=CC=CC=C7 |
Product Overview
DAP1_004761 (CAS 6057-95-0), with molecular formula C33H24BrN3O6 and molecular weight 637.08 g/mol. IUPAC: 6-bromo-2-(2-hydroxy-4-phenylmethoxyphenyl)-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),5-triene-4,7,12,14-tetrone.
Chemical Property Profile of DAP1_004761
Property Insights of DAP1_004761
The XLogP value of 4.4811 indicates that DAP1_004761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.53 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_004761. Following Lipinski's Rule of Five, DAP1_004761 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_004761?
The CAS number of DAP1_004761 is 6057-95-0.
What is the molecular formula of DAP1_004761?
The molecular formula of DAP1_004761 is C33H24BrN3O6.
What is the molecular weight of DAP1_004761?
The molecular weight of DAP1_004761 is 637.08 g/mol.
Where can I buy DAP1_004761?
You can request a quote for DAP1_004761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_004761?
Yes, KEHONG BIO provides custom synthesis services for DAP1_004761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.