DAP1_019311
TL;DR: DAP1_019311 (CAS 6072-50-0) is a chemical compound with molecular formula C48H38ClN5O7S and molecular weight 863.22 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-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_019311, 2-[4-(1,3-Benzoxazol-2-yl)phenyl]-8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methyl-1H-pyrazol-5-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C48H38ClN5O7S |
|---|---|
| Molecular Weight | 863.22 g/mol |
| LogP | 9.22132 |
| Topological Polar Surface Area | 148.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 863.218 |
| Heavy Atoms | 62 |
| Complexity | 3097.7703 |
Chemical Identifiers
| CAS Number | 6072-50-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C8=C(C=C(C=C8)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)C |
Product Overview
DAP1_019311 (CAS 6072-50-0), with molecular formula C48H38ClN5O7S and molecular weight 863.22 g/mol. IUPAC: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_019311
Property Insights of DAP1_019311
The XLogP value of 9.22132 indicates that DAP1_019311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.07 Ų indicates high polarity, suggesting DAP1_019311 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_019311 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_019311?
The CAS number of DAP1_019311 is 6072-50-0.
What is the molecular formula of DAP1_019311?
The molecular formula of DAP1_019311 is C48H38ClN5O7S.
What is the molecular weight of DAP1_019311?
The molecular weight of DAP1_019311 is 863.22 g/mol.
Where can I buy DAP1_019311?
You can request a quote for DAP1_019311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_019311?
Yes, KEHONG BIO provides custom synthesis services for DAP1_019311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.