DAP1_005275
TL;DR: DAP1_005275 (CAS 6058-46-4) is a chemical compound with molecular formula C26H21Cl2FN2O5S and molecular weight 562.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_005275, 6a,9a-Dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-[(thiophen-2-yl)methyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C26H21Cl2FN2O5S |
|---|---|
| Molecular Weight | 562.05 g/mol |
| LogP | 3.7816 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 562.0532 |
| Heavy Atoms | 37 |
| Complexity | 1413.5673 |
Chemical Identifiers
| CAS Number | 6058-46-4 |
|---|---|
| SMILES | CN1C(=O)C2(CC3C4C(CC=C3C(C2(C1=O)Cl)C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)CC6=CC=CS6)Cl |
Product Overview
DAP1_005275 (CAS 6058-46-4), with molecular formula C26H21Cl2FN2O5S and molecular weight 562.05 g/mol. IUPAC: 6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_005275
Property Insights of DAP1_005275
The XLogP value of 3.7816 indicates that DAP1_005275 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_005275. Following Lipinski's Rule of Five, DAP1_005275 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_005275?
The CAS number of DAP1_005275 is 6058-46-4.
What is the molecular formula of DAP1_005275?
The molecular formula of DAP1_005275 is C26H21Cl2FN2O5S.
What is the molecular weight of DAP1_005275?
The molecular weight of DAP1_005275 is 562.05 g/mol.
Where can I buy DAP1_005275?
You can request a quote for DAP1_005275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_005275?
Yes, KEHONG BIO provides custom synthesis services for DAP1_005275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.