DAP1_017943
TL;DR: DAP1_017943 (CAS 6071-13-2) is a chemical compound with molecular formula C46H33Cl2FN4O7 and molecular weight 842.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-(2,4-dichloroanilino)-6-(3-fluoro-4-hydroxyphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_017943, 2-[4-(1,3-Benzoxazol-2-yl)phenyl]-8-(2,4-dichloroanilino)-6-(3-fluoro-4-hydroxyphenyl)-6a-(4-methoxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C46H33Cl2FN4O7 |
|---|---|
| Molecular Weight | 842.17 g/mol |
| LogP | 8.8444 |
| Topological Polar Surface Area | 142.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 842.171 |
| Heavy Atoms | 60 |
| Complexity | 2795.1455 |
Chemical Identifiers
| CAS Number | 6071-13-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C23C(CC4C5C(CC=C4C2C6=CC(=C(C=C6)O)F)C(=O)N(C5=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)C(=O)N(C3=O)NC1=C(C=C(C=C1)Cl)Cl |
Product Overview
DAP1_017943 (CAS 6071-13-2), with molecular formula C46H33Cl2FN4O7 and molecular weight 842.17 g/mol. IUPAC: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-(2,4-dichloroanilino)-6-(3-fluoro-4-hydroxyphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_017943
Property Insights of DAP1_017943
The XLogP value of 8.8444 indicates that DAP1_017943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.28 Ų indicates high polarity, suggesting DAP1_017943 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_017943 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_017943?
The CAS number of DAP1_017943 is 6071-13-2.
What is the molecular formula of DAP1_017943?
The molecular formula of DAP1_017943 is C46H33Cl2FN4O7.
What is the molecular weight of DAP1_017943?
The molecular weight of DAP1_017943 is 842.17 g/mol.
Where can I buy DAP1_017943?
You can request a quote for DAP1_017943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_017943?
Yes, KEHONG BIO provides custom synthesis services for DAP1_017943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.