DAP1_021723
TL;DR: DAP1_021723 (CAS 958390-64-2) is a chemical compound with molecular formula C43H37ClN4O9S and molecular weight 820.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]-6-(4-hydroxy-3,5-dimethoxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
Also Known As: DAP1_021723, 3-[8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(4-hydroxy-3,5-dimethoxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
| Molecular Formula | C43H37ClN4O9S |
|---|---|
| Molecular Weight | 820.20 g/mol |
| LogP | 7.11992 |
| Topological Polar Surface Area | 168.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 820.19696 |
| Heavy Atoms | 58 |
| Complexity | 2676.9812 |
Chemical Identifiers
| CAS Number | 958390-64-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)C9=CC=CC(=C9)C(=O)O)C |
Product Overview
DAP1_021723 (CAS 958390-64-2), with molecular formula C43H37ClN4O9S and molecular weight 820.20 g/mol. IUPAC: 3-[8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]-6-(4-hydroxy-3,5-dimethoxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid.
Chemical Property Profile of DAP1_021723
Property Insights of DAP1_021723
The XLogP value of 7.11992 indicates that DAP1_021723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.57 Ų indicates high polarity, suggesting DAP1_021723 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DAP1_021723 has 2 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_021723?
The CAS number of DAP1_021723 is 958390-64-2.
What is the molecular formula of DAP1_021723?
The molecular formula of DAP1_021723 is C43H37ClN4O9S.
What is the molecular weight of DAP1_021723?
The molecular weight of DAP1_021723 is 820.20 g/mol.
Where can I buy DAP1_021723?
You can request a quote for DAP1_021723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_021723?
Yes, KEHONG BIO provides custom synthesis services for DAP1_021723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.