DAP1_013444
TL;DR: DAP1_013444 (CAS 6066-63-3) is a chemical compound with molecular formula C40H31Br2ClFN3O6 and molecular weight 861.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_013444, 2-Benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C40H31Br2ClFN3O6 |
|---|---|
| Molecular Weight | 861.03 g/mol |
| LogP | 7.9034 |
| Topological Polar Surface Area | 116.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 861.0252 |
| Heavy Atoms | 53 |
| Complexity | 2220.2095 |
Chemical Identifiers
| CAS Number | 6066-63-3 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CC=C8)Br)Br)O |
Product Overview
DAP1_013444 (CAS 6066-63-3), with molecular formula C40H31Br2ClFN3O6 and molecular weight 861.03 g/mol. IUPAC: 2-benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_013444
Property Insights of DAP1_013444
The XLogP value of 7.9034 indicates that DAP1_013444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.25 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_013444. Following Lipinski's Rule of Five, DAP1_013444 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_013444?
The CAS number of DAP1_013444 is 6066-63-3.
What is the molecular formula of DAP1_013444?
The molecular formula of DAP1_013444 is C40H31Br2ClFN3O6.
What is the molecular weight of DAP1_013444?
The molecular weight of DAP1_013444 is 861.03 g/mol.
Where can I buy DAP1_013444?
You can request a quote for DAP1_013444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_013444?
Yes, KEHONG BIO provides custom synthesis services for DAP1_013444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.